OpenMolDB

4-CarboxyBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.13	4	2	1.08				nt0144	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-CarboxyBenzoic acid]	3.13			25.0		Kenneth A. Connors 1995

4-Carboxyphenyl acetate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.15	3	1	-0.32				nt0160	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Carboxyphenyl acetate anion]	0.83			25.0		Kenneth A. Connors 1995

4-ChloroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.57	2	1	2.04				nt0177	None		Not checked

SMILES: OC(=O)c1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-ChloroBenzoic acid]	2.85			25.0		Kenneth A. Connors 1995

4-ChloroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
155.56	1	0	0.70				nt0178	None		Not checked

SMILES: C1=CC(=CC=C1C(=O)[O-])Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-ChloroBenzoic acid anion]	2.22			25.0		Kenneth A. Connors 1995

4-Chloroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.57	1	1	2.50				nt0169	None		Not checked

SMILES: Nc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chloroaniline]	2.40			25.0		Kenneth A. Connors 1995

4-Chloroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.57	1	1	2.50				nt0170	None		Not checked

SMILES: Nc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Chlorocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.60	2	1	2.44				nt0184	None		Not checked

SMILES: OC(=O)C=Cc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chlorocinnamic acid]	3.67			25.0		Kenneth A. Connors 1995

4-Chlorocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.60	2	1	2.44				nt1076	None		Not checked

SMILES: OC(=O)C=Cc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Chlorocinnamic acid]	2.77			25.0		Kenneth A. Connors 1995

4-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt0185	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chlorocinnamic acid anion]	2.46			25.0		Kenneth A. Connors 1995

4-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt0186	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt0187	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Chlorocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.60	1	0	1.10				nt1077	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Chlorocinnamic acid anion]	2.84			25.0		Kenneth A. Connors 1995

4-Chlorofluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.55	0	0	2.48				nt0188	None		Not checked

SMILES: Fc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chlorofluorobenzene]	1.81			25.0		Kenneth A. Connors 1995

4-Chlorofluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.55	0	0	2.48				nt1078	None		Not checked

SMILES: Fc1ccc(Cl)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Chlorofluorobenzene]	2.08			25.0		Kenneth A. Connors 1995

4-Chloronitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.55	1	0	2.77				nt0195	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Chloronitrobenzene]	1.83			25.0		Kenneth A. Connors 1995