OpenMolDB

3-Carboxy-4-hydroxyphenylazo-4-n-propylbenzene anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
285.32	5	2	4.39				nt0153	None		Not checked

SMILES: CCCC1=CC[CH-]C(N=NC2=CC=C(O)C(C(O)=O)=C2)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-4-n-propylbenzene anion]	3.79			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazobenzene-4-sulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
323.30	7	2	2.24				nt0147	None		Not checked

SMILES: OC(=O)C1C=C(C=CC1(O)[S]([O-])(=O)=O)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazobenzene-4-sulfonate]	3.57			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazobenzene-4-sulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
323.30	7	2	2.24				nt0148	None		Not checked

SMILES: OC(=O)C1C=C(C=CC1(O)[S]([O-])(=O)=O)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-CarboxyBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.13	4	2	1.08				nt0143	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-CarboxyBenzoic acid]	2.37			25.0		Kenneth A. Connors 1995

3-Carboxyphenyl acetate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.15	3	1	-0.32				nt0159	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxyphenyl acetate anion]	0.98			25.0		Kenneth A. Connors 1995

3-ChloroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.57	2	1	2.04				nt0173	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-ChloroBenzoic acid]	3.07			25.0		Kenneth A. Connors 1995

3-ChloroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.57	2	1	2.04				nt0174	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-ChloroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.57	2	1	2.04				nt1071	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-ChloroBenzoic acid]	3.35			25.0		Kenneth A. Connors 1995

3-ChloroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
155.56	1	0	0.70				nt0175	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-ChloroBenzoic acid anion]	1.83			25.0		Kenneth A. Connors 1995

3-ChloroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
155.56	1	0	0.70				nt0176	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Chlorocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.60	2	1	2.44				nt0181	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Chlorocinnamic acid]	3.42			25.0		Kenneth A. Connors 1995

3-Chlorocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.60	2	1	2.44				nt1074	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Chlorocinnamic acid]	3.05			25.0		Kenneth A. Connors 1995

3-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt0182	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Chlorocinnamic acid anion]	2.63			25.0		Kenneth A. Connors 1995

3-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt0183	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt1075	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Chlorocinnamic acid anion]	2.84			25.0		Kenneth A. Connors 1995