OpenMolDB

Acenaphthene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.21	0	0	2.94				nt0878	None		Not checked

SMILES: C1Cc2cccc3cccc1c23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Acenocoumarol anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0879	None

SMILES:

Supramolecules

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

Acetaminophen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.16	3	2	1.42				nt0001	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Acetaminophen]	0.77			25.0		Kenneth A. Connors 1995

Acetaminophen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.16	3	2	1.42				nt0880	None		Not checked

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

Supramolecules

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

Acetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.05	2	1	0.09				nt0002	None		Not checked

SMILES: CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Acetic acid]	3.80			25.0		Kenneth A. Connors 1995

Acetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
60.05	2	1	0.09				nt0003	None		Not checked

SMILES: CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Acetohexamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
324.40	6	2	4.07				nt0881	None		Not checked

SMILES: CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Acetohexamide]	2.95			25.0		Kenneth A. Connors 1995

Acetohexamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
324.40	6	2	4.07				nt0882	None		Not checked

SMILES: CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Acetohexamide anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0883	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Acetohexamide anion]	3.04			25.0		Kenneth A. Connors 1995

Acetone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
58.08	1	0	0.60				nt0884	None		Not checked

SMILES: CC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Acetone]	0.70			25.0		Kenneth A. Connors 1995

Acetonitrile

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
41.05	1	0	0.53				nt0004	None		Not checked

SMILES: CC#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Acetonitrile]	0.75			25.0		Kenneth A. Connors 1995

Acetonitrile

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
41.05	1	0	0.53				nt0885	None		Not checked

SMILES: CC#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Acetonitrile]	0.78			25.0		Kenneth A. Connors 1995

Acetylated-b-Cyclodextrin (DS ~7) water soluble

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					CY-2002.1	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[chlorambucil]	3.42	1.60	7.35	40.0	HPLC-method	Thorsteinn Loftsson 1998
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-hexane]	1.71			25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-heptane]	2.01	1.23		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-octane]	2.26			25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-nonane]	2.48	1.00		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-decane]	2.51	1.26		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-undecane]	2.54	1.93		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[n-dodecane]	2.57	2.27		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[cyclohexane]	3.29	1.36		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[Me-cyclohexane]	3.18	1.36		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[Et-cyclohexane]	3.53	2.69		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[benzene]	2.52	1.74		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[toluene]	2.71	1.43		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[o-xylene]	2.83	1.52		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[m-xylene]	2.71	1.79		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[p-xylene]	2.91	2.03		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[Et-benzene]	3.08	2.16		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[1,3,5-trimethyl-benzene]	1.89	0.90		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[1,2,3-trimethyl-benzene]	2.73	1.89		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[1,2,4-trimethyl-benzene]	2.94	1.81		25.0	GC (SHSGC)	É. Fenyvesi 2005

Acridine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.22	1	0	3.39				nt0888	None		Not checked

SMILES: c1ccc2nc3ccccc3cc2c1

Supramolecules

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

Ad-PEG-COOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C181	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Ad-PEG-COOH]	3.65	2.77	7.0		HPLC-method	M. C. Millot 2006