OpenMolDB

m-cresol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.70				SF_C448	None		Not checked

SMILES: Cc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-cresol]	1.68	0.36	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[m-cresol]	2.10	1.44	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[m-cresol]	1.90			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986
[g-Cyclodextrin](1).[m-cresol]	1.99	0.91	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-cresol]	2.12	1.14	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-cresol]	2.25		7.0	25.0	HPLC-method	Michel Morcellet 2004
[Sulfated-a-Cyclodextrin](1).[m-cresol]	0.51	0.38	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[m-cresol]	0.63	0.57	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[m-cresol]	0.77	-0.10	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[m-cresol]	1.25	0.94	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[m-cresol]	1.55	0.45	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[m-cresol]	0.81	0.38	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006

m-cresol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.70				SF_C79	None		Not checked

SMILES: Cc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bW7 MAHP](1).[m-cresol]	2.09		7.0	25.0	HPLC-method	Michel Morcellet 2004

m-cresol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.70				JN_420	None		Not checked

SMILES: Cc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

m-cresol purple

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
382.43	5	2	4.81				JN_77	None		Not checked

SMILES: Cc1cc(O)ccc1C2(O[S](=O)(=O)c3ccccc23)c4ccc(O)cc4C

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[ammonium-containing modified BCD](1).[m-cresol purple]	3.11	7.0	25.0	fluorescence spectroscopy	Paul J. Smith 1998
[b-Cyclodextrin](1).[m-cresol purple]	3.05	7.0	25.0	fluorescence spectroscopy	Paul J. Smith 1998
[guanidinium-containing modified BCD](1).[m-cresol purple]	3.20	7.0	25.0	fluorescence spectroscopy	Paul J. Smith 1998
[modified BCD der. 8](1).[m-cresol purple]	2.93	7.0	25.0	fluorescence spectroscopy	Paul J. Smith 1998
[modified BCD der. 9](1).[m-cresol purple]	3.15	7.0	25.0	fluorescence spectroscopy	Paul J. Smith 1998

m-dihydroxy benzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
110.11	2	2	1.10				SF_C1234	None		Not checked

SMILES: Oc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-dihydroxy benzene]	2.45		7.0	27.0	Fluorescence spectroscopy	N. Rajendiran 2005

m-fluoroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
111.12	1	1	1.99				JN_423	None		Not checked

SMILES: Nc1cccc(F)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-fluoroaniline]	1.36			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-fluorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
112.10	1	1	1.53				JN_408	None		Not checked

SMILES: Oc1cccc(F)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-fluorophenol]	1.57			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.11	2	1	-0.24				JN_211	None		Not checked

SMILES: Oc1cccc(c1)C([O-])=O

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-hydroxybenzoate]	1.74	1.08	15.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoate]	1.48	0.78	20.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoate]	1.46	0.78	25.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoate]	1.08	0.60	30.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoate]	0.70		40.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoate]	1.43	0.78	15.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoate]	0.95	0.48	20.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoate]	0.90	0.48	25.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoate]	0.70	0.48	30.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoate]	0.70		40.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-hydroxybenzoate]	0.70			pH Potentiometry	Emilio Aicart 1999

m-hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				NT_b0127	None		Not checked

SMILES: OC(=O)c1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[modified-a-cyclodextrin (35)](1).[m-hydroxybenzoic acid]	3.06		7.2	25.0	Calorimetry	Yu Liu 1998

m-hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				JN_210	None		Not checked

SMILES: OC(=O)c1cccc(O)c1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.92	1.90	15.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.81	1.78	20.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.72	1.70	25.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.65	1.60	30.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.46	1.48	40.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoic acid]	3.26	2.26	15.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoic acid]	3.15	2.15	20.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoic acid]	3.08	2.08	25.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoic acid]	3.00	2.00	30.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[m-hydroxybenzoic acid]	2.84	1.85	40.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.86	1.85	15.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.79	1.78	20.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.72	1.70	25.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.65	1.60	30.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-hydroxybenzoic acid]	2.48	1.48	40.0	pH Potentiometry	Emilio Aicart 1999

m-hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				JN_448	None		Not checked

SMILES: OC(=O)c1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[DIMEA](1).[m-hydroxybenzoic acid]	3.06			25.0	circular dichroism	Yoshihisa Inoue 1993

m-iodoaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
219.02	1	1	2.45				JN_426	None		Not checked

SMILES: Nc1cccc(I)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-iodoaniline]	2.03			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-iodophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
220.01	1	1	2.00				JN_411	None		Not checked

SMILES: Oc1cccc(I)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-iodophenol]	2.08			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-methyl-phenylacetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.17	1	0	0.29				JN_194	None		Not checked

SMILES: Cc1cccc(CC([O-])=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-methyl-phenylacetate]	1.69		8.3	25.0	spectophotometry	Yoshihiro Taniguchi 1982

m-methylphenyl hydrogen maleate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
206.19	4	1	1.54				SF_C29	None		Not checked

SMILES: Cc1cccc(OC(=O)\C=C/C(O)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-methylphenyl hydrogen maleate]	1.82	1.34	2.0	25.0	UV/VIS spectrometry	Rita H. de Rossi 2005