OpenMolDB

4-Methylphenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
109.15	1	1	1.06				nt0600	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Methylphenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.17	2	0	1.92				nt0603	None		Not checked

SMILES: CC(=O)Oc1ccc(C)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Methylphenyl acetate]	1.96			25.0		Kenneth A. Connors 1995

4-N-Methylaminobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.16	3	2	1.50				nt0534	None		Not checked

SMILES: O=C(O)C1=CC=C(NC)C=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-N-Methylaminobenzoic acid]	3.11			25.0		Kenneth A. Connors 1995

4-N-Methylaminobenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.15	2	1	0.16				nt0535	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-N-Methylaminobenzoic acid anion]	0.79			25.0		Kenneth A. Connors 1995

4-NO2-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C651	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-NO2-Phenol]	2.57		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003
[g-Cyclodextrin](0.5).[4-NO2-Phenol]	5.40		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-NO2-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C668	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[4-NO2-Phenol]	2.85	1.32	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2005
[6-O-a-D-glucosyl-b-CD](1).[4-NO2-Phenol]	2.68	0.70	6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2006

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0649	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-NitroBenzoic acid]	2.54			25.0		Kenneth A. Connors 1995

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0650	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0651	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0652	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0653	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0654	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0655	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt1583	None		Not checked

SMILES: OC(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-NitroBenzoic acid]	2.34			25.0		Kenneth A. Connors 1995

4-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt0656	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-NitroBenzoic acid anion]	2.56			25.0		Kenneth A. Connors 1995