OpenMolDB

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				nt0576	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

3-Methyl-4-hydroxyphenylazobenzene-4-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0573	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methyl-4-hydroxyphenylazobenzene-4-sulfonate anion]	3.92			25.0		Kenneth A. Connors 1995

3-Methyl-4-hydroxyphenylazobenzene-4-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0574	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Methyl-4-nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.14	2	1	1.18				nt0583	None		Not checked

SMILES: O=[N+](C1=CCC(O)[C-]=C1C)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methyl-4-nitrophenol anion]	1.38			25.0		Kenneth A. Connors 1995

3-Methyl-4-nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.14	2	1	1.18				nt0584	None		Not checked

SMILES: O=[N+](C1=CCC(O)[C-]=C1C)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Methylacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.19	2	1	2.03				nt0532	None		Not checked

SMILES: CC(=O)Nc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methylacetanilide]	1.00			25.0		Kenneth A. Connors 1995

3-Methylacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.19	2	1	2.03				nt1461	None		Not checked

SMILES: CC(=O)Nc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methylacetanilide]	1.64			25.0		Kenneth A. Connors 1995

3-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0541	None		Not checked

SMILES: Cc1cccc(c1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methylbenzoic acid]	2.82			25.0		Kenneth A. Connors 1995

3-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0542	None		Not checked

SMILES: Cc1cccc(c1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt0543	None		Not checked

SMILES: Cc1cccc(c1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Methylbenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.15	2	1	1.69				nt1466	None		Not checked

SMILES: Cc1cccc(c1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methylbenzoic acid]	7.11			25.0		Kenneth A. Connors 1995

3-Methylbenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.14	1	0	0.36				nt0544	None		Not checked

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

Supramolecules

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

3-Methylbenzophenone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
196.24	1	0	3.23				nt1470	None		Not checked

SMILES: Cc1cccc(c1)C(=O)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methylbenzophenone]	3.14			25.0		Kenneth A. Connors 1995

3-Methylcinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.19	2	1	2.09				nt0559	None		Not checked

SMILES: Cc1cccc(C=CC(O)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methylcinnamic acid]	3.49			25.0		Kenneth A. Connors 1995

3-Methylcinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.19	2	1	2.09				nt1481	None		Not checked

SMILES: Cc1cccc(C=CC(O)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methylcinnamic acid]	2.98			25.0		Kenneth A. Connors 1995