OpenMolDB

3-BenzoylBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.23	3	1	2.62				nt1001	None		Not checked

SMILES: OC(=O)c1cccc(c1)C(=O)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-BenzoylBenzoic acid]	3.29			25.0		Kenneth A. Connors 1995

3-BenzoylBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.22	2	0	1.28				nt1002	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-BenzoylBenzoic acid anion]	2.76			25.0		Kenneth A. Connors 1995

3-BromoBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
201.02	2	1	2.15				nt1025	None		Not checked

SMILES: OC(=O)c1cccc(Br)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-BromoBenzoic acid]	3.35			25.0		Kenneth A. Connors 1995

3-Bromobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
201.02	2	1	2.15				nt0105	None		Not checked

SMILES: OC(=O)c1cccc(Br)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Bromobenzoic acid]	3.22			25.0		Kenneth A. Connors 1995

3-Bromocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.05	2	1	2.55				nt0106	None		Not checked

SMILES: OC(=O)C=Cc1cccc(Br)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Bromocinnamic acid]	3.14			25.0		Kenneth A. Connors 1995

3-Bromocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
227.05	2	1	2.55				nt1026	None		Not checked

SMILES: OC(=O)C=Cc1cccc(Br)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Bromocinnamic acid]	2.84			25.0		Kenneth A. Connors 1995

3-Bromocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.05	1	0	1.21				nt0107	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Bromocinnamic acid anion]	2.47			25.0		Kenneth A. Connors 1995

3-Bromocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.05	1	0	1.21				nt1027	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Bromocinnamic acid anion]	2.73			25.0		Kenneth A. Connors 1995

3-Carbamoylproxyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
185.24	4	1	1.33				nt0141	None		Not checked

SMILES: CC1(C)C(C(N)=O)CC(C)(C)N1[O]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carbamoylproxyl]	0.52			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazo-3,5-dimethylbenzene anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
271.29	5	2	4.00				nt0150	None		Not checked

SMILES: CC1=CC(C)=C(N=NC2=CC=C(O)C(C(O)=O)=C2)[CH-]C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-3,5-dimethylbenzene anion]	3.52			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazo-4-aniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0146	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-4-aniline]	2.62			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazo-4-aniline anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
258.25	6	3	2.85				nt0145	None		Not checked

SMILES: NC1C=C[C-]=C(N=NC2=CC=C(O)C(C(O)=O)=C2)C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-4-aniline anion]	4.00			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazo-4-chlorobenzene anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
277.68	5	2	3.79				nt0149	None		Not checked

SMILES: ClC1=CC[CH-]C(N=NC2=CC=C(O)C(C(O)=O)=C2)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-4-chlorobenzene anion]	3.60			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazo-4-ethoxybenzene anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
287.29	6	2	3.59				nt0151	None		Not checked

SMILES: CCOC1=CC[CH-]C(N=NC2=CC=C(O)C(C(O)=O)=C2)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-4-ethoxybenzene anion]	3.61			25.0		Kenneth A. Connors 1995

3-Carboxy-4-hydroxyphenylazo-4-methylbenzene anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
257.26	5	2	3.61				nt0152	None		Not checked

SMILES: CC1=CC[CH-]C(N=NC2=CC=C(O)C(C(O)=O)=C2)=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Carboxy-4-hydroxyphenylazo-4-methylbenzene anion]	3.11			25.0		Kenneth A. Connors 1995