OpenMolDB

o-chloroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.57	1	1	2.50				JN_431	None		Not checked

SMILES: Nc1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-chloroaniline]	1.78			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-chlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.56	1	1	2.05				JN_416	None		Not checked

SMILES: Oc1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-chlorophenol]	1.84			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-cresol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.70				SF_C78	None		Not checked

SMILES: Cc1ccccc1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-cresol]	2.08		7.0	25.0	HPLC-method	Michel Morcellet 2004
[bW7 MAHP](1).[o-cresol]	2.03		7.0	25.0	HPLC-method	Michel Morcellet 2004

o-cresol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.70				JN_419	None		Not checked

SMILES: Cc1ccccc1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-cresol]	1.92			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-dihydroxy benzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
110.11	2	2	1.10				SF_C1233	None		Not checked

SMILES: Oc1ccccc1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-dihydroxy benzene]	2.59		7.0	27.0	Fluorescence spectroscopy	N. Rajendiran 2005

o-fluoroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
111.12	1	1	1.99				JN_422	None		Not checked

SMILES: Nc1ccccc1F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-fluoroaniline]	1.32			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-fluorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
112.10	1	1	1.53				JN_407	None		Not checked

SMILES: Oc1ccccc1F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-fluorophenol]	1.53			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.11	2	1	-0.24				JN_209	None		Not checked

SMILES: Oc1ccccc1C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-hydroxybenzoate]	2.08	1.30		15.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoate]	2.04	1.30		20.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoate]	1.95	1.30		25.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoate]	1.85	1.18		30.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoate]	1.65	1.00		40.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoate]	1.71		1.5	25.0	flow-injection dynamic dialysis technique	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoate]	2.02			25.0	speed of sound and conductivity experiments	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoate]	2.23	1.48		15.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoate]	2.11	1.30		20.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoate]	2.02	1.30		25.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoate]	1.98	1.30		30.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoate]	1.85	1.18		40.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoate]	2.15			25.0	speed of sound and conductivity experiments	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoate]	2.15	1.48		15.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoate]	2.04	1.30		20.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoate]	1.95	1.30		25.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoate]	1.85	1.18		30.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoate]	1.57	0.90		40.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoate]	2.34			25.0		Emilio Aicart 1999

o-hydroxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	3	2	1.09				JN_208	None		Not checked

SMILES: OC(=O)c1ccccc1O

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-hydroxybenzoic acid]	3.06	2.08	15.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.97	1.95	20.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.89	1.90	25.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.80	1.78	30.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.65	1.60	40.0	pH Potentiometry	Emilio Aicart 1999
[b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.85		25.0		Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoic acid]	3.33	2.32	15.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoic acid]	3.26	2.30	20.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoic acid]	3.20	2.18	25.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoic acid]	3.14	2.15	30.0	pH Potentiometry	Emilio Aicart 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[o-hydroxybenzoic acid]	3.03	2.00	40.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.99	2.00	15.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.95	1.95	20.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.87	1.85	25.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.86	1.85	30.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoic acid]	2.64	1.70	40.0	pH Potentiometry	Emilio Aicart 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-hydroxybenzoic acid]	3.08		25.0		Emilio Aicart 1999

o-iodoaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
219.02	1	1	2.45				JN_425	None		Not checked

SMILES: Nc1ccccc1I

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-iodoaniline]	1.82			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-iodophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
220.01	1	1	2.00				JN_410	None		Not checked

SMILES: Oc1ccccc1I

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-iodophenol]	1.88			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				JN_428	None		Not checked

SMILES: Nc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-nitroaniline]	0.97			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

o-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C75	None		Not checked

SMILES: Oc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-nitrophenol]	1.94		7.0	25.0	HPLC-method	Michel Morcellet 2004
[bW7 MAHP](1).[o-nitrophenol]	1.89		7.0	25.0	HPLC-method	Michel Morcellet 2004

o-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				JN_413	None		Not checked

SMILES: Oc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-nitrophenol]	1.81			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986
[b-Cyclodextrin](1).[o-nitrophenol]	2.55		10.0	20.0	polarography	Kazumi Fujimura 1986

o-toluic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				SF_C792	None		Not checked

SMILES: Cc1ccccc1C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-toluic acid]	2.04	0.48	4.5	37.0	HPLC-method	Kaneto Uekama 2001