OpenMolDB

3-Methylcinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
161.18	1	0	0.76				nt0560	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methylcinnamic acid anion]	2.12			25.0		Kenneth A. Connors 1995

3-Methylcinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
161.18	1	0	0.76				nt1482	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methylcinnamic acid anion]	2.53			25.0		Kenneth A. Connors 1995

3-Methylphenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.70				nt1510	None		Not checked

SMILES: Cc1cccc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Methylphenol]	2.34			25.0		Kenneth A. Connors 1995

3-Methylphenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.17	2	0	1.92				nt0602	None		Not checked

SMILES: CC(=O)Oc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Methylphenyl acetate]	1.77			25.0		Kenneth A. Connors 1995

3-NH2-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0003	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[3-NH2-b-CD](1).[rimantidine]	2.38	1.79	7.0	30.0	Isothermal titration calorimetry (ITC)	José Vázquez Tato 2005
[3-NH2-b-CD](1).[adamantyl-methanol]	3.14	1.60	7.0	30.0	Isothermal titration calorimetry (ITC)	José Vázquez Tato 2005

3-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0641	None		Not checked

SMILES: OC(=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-NitroBenzoic acid]	2.04			25.0		Kenneth A. Connors 1995

3-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0642	None		Not checked

SMILES: OC(=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0643	None		Not checked

SMILES: OC(=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0644	None		Not checked

SMILES: OC(=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0645	None		Not checked

SMILES: OC(=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt1581	None		Not checked

SMILES: OC(=O)c1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-NitroBenzoic acid]	3.08			25.0		Kenneth A. Connors 1995

3-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt0646	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-NitroBenzoic acid anion]	2.69			25.0		Kenneth A. Connors 1995

3-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt0647	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt0648	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt1582	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-NitroBenzoic acid anion]	3.03			25.0		Kenneth A. Connors 1995