OpenMolDB

3-Methoxybenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.15	3	1	1.39				nt0518	None		Not checked

SMILES: COc1cccc(c1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methoxybenzoic acid]	2.93			25.0		Kenneth A. Connors 1995

3-Methoxybenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.14	2	0	0.06				nt0519	None		Not checked

SMILES: COC1=CC=CC(=C1)C(=O)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methoxybenzoic acid anion]	1.17			25.0		Kenneth A. Connors 1995

3-Methoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.18	3	1	1.79				nt0526	None		Not checked

SMILES: COc1cccc(C=CC(O)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methoxycinnamic acid]	3.40			25.0		Kenneth A. Connors 1995

3-Methoxycinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.18	3	1	1.79				nt1456	None		Not checked

SMILES: COc1cccc(C=CC(O)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methoxycinnamic acid]	2.65			25.0		Kenneth A. Connors 1995

3-Methoxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
177.18	2	0	0.46				nt0527	None		Not checked

SMILES: O=C([O-])C=CC1=CC=CC(OC)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methoxycinnamic acid anion]	1.85			25.0		Kenneth A. Connors 1995

3-Methoxycinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
177.18	2	0	0.46				nt1457	None		Not checked

SMILES: O=C([O-])C=CC1=CC=CC(OC)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methoxycinnamic acid anion]	2.59			25.0		Kenneth A. Connors 1995

3-Methyl-1-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt0554	None		Not checked

SMILES: CC(C)CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methyl-1-butanol]	1.87			25.0		Kenneth A. Connors 1995

3-Methyl-1-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt0555	None		Not checked

SMILES: CC(C)CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Methyl-1-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt1475	None		Not checked

SMILES: CC(C)CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methyl-1-butanol]	2.25			25.0		Kenneth A. Connors 1995

3-Methyl-1-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt1476	None		Not checked

SMILES: CC(C)CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Methyl-2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt0556	None		Not checked

SMILES: CC(C)C(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methyl-2-butanol]	1.27			25.0		Kenneth A. Connors 1995

3-Methyl-2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt1479	None		Not checked

SMILES: CC(C)C(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methyl-2-butanol]	1.92			25.0		Kenneth A. Connors 1995

3-Methyl-3-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				nt1507	None		Not checked

SMILES: CCC(C)(O)CC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methyl-3-pentanol]	2.15			25.0		Kenneth A. Connors 1995

3-Methyl-4-hydroxy-5-carboxyphenylazobenzene-4-sulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
337.33	7	2	2.63				nt0570	None		Not checked

SMILES: CC1C=C(C=C(C(O)=O)C1(O)[S]([O-])(=O)=O)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methyl-4-hydroxy-5-carboxyphenylazobenzene-4-sulfonate]	3.45			25.0		Kenneth A. Connors 1995

3-Methyl-4-hydroxyphenylazobenzene-4-sulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
293.32	5	1	3.17				nt0575	None		Not checked

SMILES: CC1C=C(C=CC1(O)[S]([O-])(=O)=O)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methyl-4-hydroxyphenylazobenzene-4-sulfonate]	3.67			25.0		Kenneth A. Connors 1995