OpenMolDB

4-Chloronitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.55	1	0	2.77				nt1082	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Chloronitrobenzene]	2.15			25.0		Kenneth A. Connors 1995

4-Chlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.56	1	1	2.05				nt0196	None		Not checked

SMILES: Oc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chlorophenol]	2.43			25.0		Kenneth A. Connors 1995

4-Chlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.56	1	1	2.05				nt0197	None		Not checked

SMILES: Oc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Chlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.56	1	1	2.05				nt1083	None		Not checked

SMILES: Oc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Chlorophenol]	2.61			25.0		Kenneth A. Connors 1995

4-Chlorophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
129.56	1	1	1.23				nt0198	None		Not checked

SMILES: ClC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chlorophenol anion]	2.69			25.0		Kenneth A. Connors 1995

4-Chlorophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.59	2	0	2.27				nt0201	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chlorophenyl acetate]	1.80			25.0		Kenneth A. Connors 1995

4-Cl-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C649	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Cl-Phenol]	2.43		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-Cl-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C723	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Cl-phenol]	2.43		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000

4-CyanoBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.13	3	1	1.26				nt0218	None		Not checked

SMILES: OC(=O)c1ccc(cc1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-CyanoBenzoic acid]	2.64			25.0		Kenneth A. Connors 1995

4-CyanoBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.13	3	1	1.26				nt0219	None		Not checked

SMILES: OC(=O)c1ccc(cc1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-CyanoBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.12	2	0	-0.08				nt0220	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-CyanoBenzoic acid anion]	1.90			25.0		Kenneth A. Connors 1995

4-CyanoBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.12	2	0	-0.08				nt0221	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Cyanoaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.14	2	1	1.72				nt0214	None		Not checked

SMILES: Nc1ccc(cc1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Cyanoaniline]	2.65			25.0		Kenneth A. Connors 1995

4-Cyanophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
119.12	2	1	1.26				nt0224	None		Not checked

SMILES: Oc1ccc(cc1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Cyanophenol]	2.15			25.0		Kenneth A. Connors 1995

4-Cyanophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
119.12	2	1	1.26				nt0225	None		Not checked

SMILES: Oc1ccc(cc1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref