OpenMolDB

4-Aminobenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.13	2	1	0.21				nt0030	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Aminobenzoic acid anion]	0.95			25.0		Kenneth A. Connors 1995

4-Aminocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
163.17	3	2	1.95				nt0031	None		Not checked

SMILES: Nc1ccc(cc1)C=CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Aminocinnamic acid]	2.91			25.0		Kenneth A. Connors 1995

4-Aminocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
163.17	3	2	1.95				nt0913	None		Not checked

SMILES: Nc1ccc(cc1)C=CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Aminocinnamic acid]	2.26			25.0		Kenneth A. Connors 1995

4-Aminonaphthalene-1-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0915	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Aminonaphthalene-1-sulfonate anion]	1.70			25.0		Kenneth A. Connors 1995

4-Aminonaphthalene-1-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1845	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[4-Aminonaphthalene-1-sulfonate anion]	1.31			25.0		Kenneth A. Connors 1995

4-Aminophthalimide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.15	4	2	1.06				nt0032	None		Not checked

SMILES: Nc1ccc2C(=O)NC(=O)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Aminophthalimide]	1.96			25.0		Kenneth A. Connors 1995

4-Aminophthalimide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.15	4	2	1.06				nt0916	None		Not checked

SMILES: Nc1ccc2C(=O)NC(=O)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Aminophthalimide]	2.32			25.0		Kenneth A. Connors 1995

4-Aminosalicylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.14	4	3	1.25				nt0917	None		Not checked

SMILES: Nc1ccc(C(O)=O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Aminosalicylic acid]	2.59			25.0		Kenneth A. Connors 1995

4-BenzoylBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.23	3	1	2.62				nt1003	None		Not checked

SMILES: OC(=O)c1ccc(cc1)C(=O)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-BenzoylBenzoic acid]	3.26			25.0		Kenneth A. Connors 1995

4-BenzoylBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.22	2	0	1.28				nt1004	None		Not checked

SMILES: O=C([O-])C1=CC=C(C(C2=CC=CC=C2)=O)C=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-BenzoylBenzoic acid anion]	2.80			25.0		Kenneth A. Connors 1995

4-Benzoylbenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.22	2	0	1.28				nt0080	None		Not checked

SMILES: O=C([O-])C1=CC=C(C(C2=CC=CC=C2)=O)C=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Benzoylbenzoic acid anion]	1.40			25.0		Kenneth A. Connors 1995

4-Biphenylacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.24	2	1	2.98				nt1018	None		Not checked

SMILES: OC(=O)Cc1ccc(cc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Biphenylacetic acid]	3.29			25.0		Kenneth A. Connors 1995

4-Biphenylcarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
197.21	1	0	1.72				nt0094	None		Not checked

SMILES: O=C(C1=CC=C(C2=CC=CC=C2)C=C1)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Biphenylcarboxylic acid anion]	1.77			25.0		Kenneth A. Connors 1995

4-Br-Phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C650	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Br-Phenol]	2.48		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003
[g-Cyclodextrin](0.5).[4-Br-Phenol]	5.20		6.9	40.0	UV-vis spectroscopy	Yoshimi Sueishi 2003

4-Br-phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C724	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Br-phenol]	2.63		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000