OpenMolDB

4-Cyanophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
119.12	2	1	1.26				nt0226	None		Not checked

SMILES: Oc1ccc(cc1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Cyanophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.13	2	1	0.56				nt0227	None		Not checked

SMILES: N#CC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Cyanophenol anion]	2.82			25.0		Kenneth A. Connors 1995

4-Cyanophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.13	2	1	0.56				nt0228	None		Not checked

SMILES: N#CC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Cyanophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.13	2	1	0.56				nt0229	None		Not checked

SMILES: N#CC1=CCC(O)[C-]=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Cyclohexylbutan-1-ol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.27	1	1	2.73				SF_C1489	None		Not checked

SMILES: OCCCCC1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Cyclohexylbutan-1-ol ]	2.99	2.20	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2000

4-Dimethylaminoazobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.29	3	0	4.17				nt0304	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Dimethylaminoazobenzene]	3.08			25.0		Kenneth A. Connors 1995

4-Dimethylaminoazobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.29	3	0	4.17				nt0305	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Dimethylaminoazobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.29	3	0	4.17				nt1196	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2

Supramolecules

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

4-Dimethylaminoazobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
225.29	3	0	4.17				nt1197	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

4-Dimethylaminocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
191.23	3	1	1.85				nt0306	None		Not checked

SMILES: CN(C)c1ccc(C=CC(O)=O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Dimethylaminocinnamic acid]	3.11			25.0		Kenneth A. Connors 1995

4-Dimethylaminocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
191.23	3	1	1.85				nt1199	None		Not checked

SMILES: CN(C)c1ccc(C=CC(O)=O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Dimethylaminocinnamic acid]	2.25			25.0		Kenneth A. Connors 1995

4-Dimethylaminocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
190.22	2	0	0.52				nt0307	None		Not checked

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

Supramolecules

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

4-Dimethylaminocinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
190.22	2	0	0.52				nt1198	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[4-Dimethylaminocinnamic acid anion]	3.08			25.0		Kenneth A. Connors 1995

4-Dimethylaminophenylazobenzene-4-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0308	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Dimethylaminophenylazobenzene-4-sulfonate anion]	3.79			25.0		Kenneth A. Connors 1995

4-Dodecylbenzenesulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0352	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[4-Dodecylbenzenesulfonate anion]	3.76			25.0		Kenneth A. Connors 1995