OpenMolDB

2-Bromobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
201.02	2	1	2.15				nt0104	None		Not checked

SMILES: OC(=O)c1ccccc1Br

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Bromobenzoic acid]	1.60			25.0		Kenneth A. Connors 1995

2-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt0124	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Butanol]	1.45			25.0		Kenneth A. Connors 1995

2-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt0125	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt0126	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt0127	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt1044	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Butanol]	1.19			25.0		Kenneth A. Connors 1995

2-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				nt1045	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-ChloroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.57	2	1	2.04				nt0172	None		Not checked

SMILES: OC(=O)c1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-ChloroBenzoic acid]	1.40			25.0		Kenneth A. Connors 1995

2-Chlorocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.60	2	1	2.44				nt0179	None		Not checked

SMILES: OC(=O)C=Cc1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Chlorocinnamic acid]	2.75			25.0		Kenneth A. Connors 1995

2-Chlorocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.60	2	1	2.44				nt1072	None		Not checked

SMILES: OC(=O)C=Cc1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Chlorocinnamic acid]	2.88			25.0		Kenneth A. Connors 1995

2-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt0180	None		Not checked

SMILES: O=C([O-])C=CC1=CC=CC=C1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Chlorocinnamic acid anion]	2.45			25.0		Kenneth A. Connors 1995

2-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt1073	None		Not checked

SMILES: O=C([O-])C=CC1=CC=CC=C1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Chlorocinnamic acid anion]	2.70			25.0		Kenneth A. Connors 1995

2-Chloronitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.55	1	0	2.77				nt0193	None		Not checked

SMILES: [O-][N+](=O)c1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Chloronitrobenzene]	1.43			25.0		Kenneth A. Connors 1995

2-Chloronitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.55	1	0	2.77				nt1080	None		Not checked

SMILES: [O-][N+](=O)c1ccccc1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Chloronitrobenzene]	2.36			25.0		Kenneth A. Connors 1995

2-CyanoBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.12	2	0	-0.08				nt0215	None		Not checked

SMILES: O=C([O-])C1=CC=CC=C1C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-CyanoBenzoic acid anion]	0.88			25.0		Kenneth A. Connors 1995