OpenMolDB

2-anthracenecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	2	1	3.69				JN_AC_1	None		Not checked

SMILES: OC(=O)c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C1126	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2-butanol]	1.87		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2-butanol]	1.11		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C1297	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-a-D-glucosyl-b-CD](1).[2-butanol]	1.40		7.0	22.0	Fluorescence spectroscopy	Daniel G. Nocera 1993

2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C168	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-butanol]	1.30	-0.05	1.0	25.0	UV-vis spectroscopy	L. Garcia-Rio 2005

2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				VR_C129	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-butanol]	1.32	0.30		25.0	Surface tension	Yoshihiro Saito 2000

2-butyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				JN_223	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-butyl alcohol]	1.19			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-butyl alcohol]	1.08	-0.40	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

2-carboxyphenoxathiin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.27	4	1	3.64				SF_C927	None		Not checked

SMILES: OC(=O)c1ccc2Oc3ccccc3Sc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-carboxyphenoxathiin]	4.40		9.8	25.0	NMR spectroscopy	Andre Thevand 2003

2-chloroethylnitrososulfamides derivative 1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1624	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-chloroethylnitrososulfamides derivative 1]	3.78	2.00		20.0	UV-vis spectroscopy	Mohamed Abdaoui 2004

2-chloroethylnitrososulfamides derivative 2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1625	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-chloroethylnitrososulfamides derivative 2]	4.40	2.18		20.0	UV-vis spectroscopy	Mohamed Abdaoui 2004

2-chloroethylnitrososulfamides derivative 3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1626	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-chloroethylnitrososulfamides derivative 3]	3.99	2.00		20.0	UV-vis spectroscopy	Mohamed Abdaoui 2004

2-chloroethylnitrososulfamides derivative 4

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1627	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-chloroethylnitrososulfamides derivative 4]	4.39	2.18		20.0	UV-vis spectroscopy	Mohamed Abdaoui 2004

2-chlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.56	1	1	2.05				SF_C780	None		Not checked

SMILES: Oc1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-chlorophenol]	1.54	0.60	2.0	20.0	UV-vis spectroscopy	Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[2-chlorophenol]	2.04	1.18	2.0	20.0	UV-vis spectroscopy	Miguel A. Garcia-Garibay 2001
[b-Cyclodextrin](1).[2-chlorophenol]	2.18	0.95	7.0	20.0	NMR spectroscopy	Miguel A. Garcia-Garibay 2001

2-cyano-3-(1,4-dihydro-1-phenyl-(1)-benzothiopyran-(4,3-C)-pyrazol-3-yl)-3-oxo-N-phenyl-propanamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
450.51	6	1	5.18				SF_C1668	None		Not checked

SMILES: O=C(NC1=CC=CC=C1)C(C#N)C(C2=NN(C3=CC=CC=C3)C4=C2CSC5=CC=CC=C54)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-cyano-3-(1,4-dihydro-1-phenyl-(1)-benzothiopyran-(4,3-C)-pyrazol-3-yl)-3-oxo-N-phenyl-propanamide]	2.84		7.4	37.0	UV-vis spectroscopy	Roberto DePonti 1991
[b-Cyclodextrin](1).[2-cyano-3-(1,4-dihydro-1-phenyl-(1)-benzothiopyran-(4,3-C)-pyrazol-3-yl)-3-oxo-N-phenyl-propanamide]	3.02		7.4	37.0	Polarography	Roberto DePonti 1991

2-dibenzofuran carboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
211.19	1	0	1.95				SF_C174	None		Not checked

SMILES: [O-]C(=O)c1ccc2oc3ccccc3c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-dibenzofuran carboxylate]	3.26	1.95	10.0	27.0	NMR spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](1).[2-dibenzofuran carboxylate]	2.78	2.30	10.0	27.0	NMR spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](0.5).[2-dibenzofuran carboxylate]	3.85	3.30	10.0	27.0	NMR spectroscopy	Gustavo González-Gaitano 2004

2-dibenzofuranol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	1	1	3.29				SF_C997	None		Not checked

SMILES: Oc1ccc2oc3ccccc3c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-dibenzofuranol]	0.56	-1.30	7.0	15.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[b-Cyclodextrin](1).[2-dibenzofuranol]	0.47	-1.40	7.0	25.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[b-Cyclodextrin](1).[2-dibenzofuranol]	0.34	-1.52	7.0	35.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[b-Cyclodextrin](1).[2-dibenzofuranol]	0.22	-1.70	7.0	45.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](1).[2-dibenzofuranol]	-0.48	-2.05	7.0	15.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](1).[2-dibenzofuranol]	-0.41	-1.70	7.0	25.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](1).[2-dibenzofuranol]	-0.51	-1.70	7.0	35.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](1).[2-dibenzofuranol]	-0.62	-2.22	7.0	45.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](0.5).[2-dibenzofuranol]	1.45	-0.30	7.0	15.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](0.5).[2-dibenzofuranol]	1.12	-0.52	7.0	25.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](0.5).[2-dibenzofuranol]	0.87	-0.70	7.0	35.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005
[g-Cyclodextrin](0.5).[2-dibenzofuranol]	1.05	-1.00	7.0	45.0	Fluorescence spectroscopy	Gustavo Gonzalez-Gaitano 2005