OpenMolDB

3-Nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.12	2	1	0.79				nt0676	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.12	2	1	0.79				nt1596	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Nitrophenol anion]	1.88			25.0		Kenneth A. Connors 1995

3-Nitrophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
140.12	2	1	0.79				nt1597	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Nitrophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.15	3	0	2.04				nt0710	None		Not checked

SMILES: CC(=O)Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Nitrophenyl acetate]	1.76			25.0		Kenneth A. Connors 1995

3-Nitrophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.15	3	0	2.04				nt0711	None		Not checked

SMILES: CC(=O)Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Nitrophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.15	3	0	2.04				nt1618	None		Not checked

SMILES: CC(=O)Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Nitrophenyl acetate]	1.72			25.0		Kenneth A. Connors 1995

3-Nitrophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.15	3	0	2.04				nt1619	None		Not checked

SMILES: CC(=O)Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Nitrophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.15	3	0	2.04				nt1620	None		Not checked

SMILES: CC(=O)Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Nitrophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.15	3	0	2.04				nt1959	None		Not checked

SMILES: CC(=O)Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[3-Nitrophenyl acetate]	1.48			25.0		Kenneth A. Connors 1995

3-Noradamantanecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.22	2	1	1.90				nt0722	None		Not checked

SMILES: OC(=O)C12CC3CC(CC1C3)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Noradamantanecarboxylic acid]	2.09			25.0		Kenneth A. Connors 1995

3-Noradamantanecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.22	2	1	1.90				nt1635	None		Not checked

SMILES: OC(=O)C12CC3CC(CC1C3)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Noradamantanecarboxylic acid]	5.15			25.0		Kenneth A. Connors 1995

3-Noradamantanecarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1636	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Noradamantanecarboxylic acid anion]	3.70			25.0		Kenneth A. Connors 1995

3-Noradamantanecarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1637	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Noradamantanecarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1638	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				nt0756	None		Not checked

SMILES: CCC(O)CC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Pentanol]	1.94			25.0		Kenneth A. Connors 1995