OpenMolDB

3-Chloronitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.55	1	0	2.77				nt0194	None		Not checked

SMILES: [O-][N+](=O)c1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Chloronitrobenzene]	1.77			25.0		Kenneth A. Connors 1995

3-Chloronitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.55	1	0	2.77				nt1081	None		Not checked

SMILES: [O-][N+](=O)c1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Chloronitrobenzene]	2.03			25.0		Kenneth A. Connors 1995

3-Chlorophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.59	2	0	2.27				nt0199	None		Not checked

SMILES: CC(=O)Oc1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Chlorophenyl acetate]	2.25			25.0		Kenneth A. Connors 1995

3-Chlorophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.59	2	0	2.27				nt0200	None		Not checked

SMILES: CC(=O)Oc1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

3-Chlorophenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.59	2	0	2.27				nt1084	None		Not checked

SMILES: CC(=O)Oc1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Chlorophenyl acetate]	2.46			25.0		Kenneth A. Connors 1995

3-CyanoBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.13	3	1	1.26				nt0216	None		Not checked

SMILES: OC(=O)c1cccc(c1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-CyanoBenzoic acid]	2.56			25.0		Kenneth A. Connors 1995

3-CyanoBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.12	2	0	-0.08				nt0217	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-CyanoBenzoic acid anion]	1.78			25.0		Kenneth A. Connors 1995

3-Cyanophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
119.12	2	1	1.26				nt0222	None		Not checked

SMILES: Oc1cccc(c1)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Cyanophenol]	1.98			25.0		Kenneth A. Connors 1995

3-Cyanophenol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.13	2	1	0.56				nt0223	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Cyanophenol anion]	2.68			25.0		Kenneth A. Connors 1995

3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0002	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin](1).[bisphenols]	4.15	7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005
[3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin](1).[estradiol]	4.23	7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005
[3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin](1).[BPA-polymer]	5.88	7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005

3-Ethyl-3-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				nt1300	None		Not checked

SMILES: CCC(O)(CC)CC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Ethyl-3-pentanol]	2.28			25.0		Kenneth A. Connors 1995

3-Ethylphenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
164.20	2	0	2.17				nt0389	None		Not checked

SMILES: CCc1cccc(OC(C)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Ethylphenyl acetate]	1.97			25.0		Kenneth A. Connors 1995

3-Ethylphenyl acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
164.20	2	0	2.17				nt1310	None		Not checked

SMILES: CCc1cccc(OC(C)=O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Ethylphenyl acetate]	2.66			25.0		Kenneth A. Connors 1995

3-Hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				nt0438	None		Not checked

SMILES: CCCC(O)CC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[3-Hexanol]	2.19			25.0		Kenneth A. Connors 1995

3-Homoadamantanecarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1367	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[3-Homoadamantanecarboxylic acid anion]	4.64			25.0		Kenneth A. Connors 1995