OpenMolDB

1,2-dithiolane-3-pentanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
206.33	4	1	2.79				SF_C81	None		Not checked

SMILES: OC(=O)CCCCC1CCSS1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-dithiolane-3-pentanoic acid]	3.22		9.0	20.0	Capillary electrophoresis	Tommaso Carofiglio 2002

1,2-hexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.17	2	2	0.53				SF_C1606	None		Not checked

SMILES: CCCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-hexanediol]	1.80	0.85		25.0	Calorimetry	Giuseppina Castronuovo 2002
[a-Cyclodextrin](1).[1,2-hexanediol]	2.27	1.63	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,2-hexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
118.17	2	2	0.53				SF_C68	None		Not checked

SMILES: CCCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-hexanediol]	1.52	0.30	0.8	25.0	UV/VIS spectrometry	Jorge Pérez-Juste 2006

1,2-octanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.23	2	2	1.31				SF_C1607	None		Not checked

SMILES: CCCCCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-octanediol ]	2.36	1.36		25.0	Calorimetry	Giuseppina Castronuovo 2002

1,2-penatnediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C67	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-penatnediol]	1.06	-0.30	0.8	25.0	UV/VIS spectrometry	Jorge Pérez-Juste 2006

1,2-pentanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
104.15	2	2	0.14				SF_C1605	None		Not checked

SMILES: CCCC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-pentanediol]	1.72	0.70		25.0	Calorimetry	Giuseppina Castronuovo 2002
[a-Cyclodextrin](1).[1,2-pentanediol]	1.89	0.70	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,2-propanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				SF_C1613	None		Not checked

SMILES: CC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2-propanediol]	0.48	0.30	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,2-propanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
76.09	2	2	-0.64				SF_C65	None		Not checked

SMILES: CC(O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2-propanediol]	0.00	-1.30	0.8	25.0	UV/VIS spectrometry	Jorge Pérez-Juste 2006

1,3,5-Trihydroxybenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
126.11	3	3	0.80				nt1817	None		Not checked

SMILES: Oc1cc(O)cc(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,3,5-Trihydroxybenzene]	2.04			25.0		Kenneth A. Connors 1995

1,3,5-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt0864	None		Not checked

SMILES: Cc1cc(C)cc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3,5-Trimethylbenzene]	1.79			25.0		Kenneth A. Connors 1995

1,3,5-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt1821	None		Not checked

SMILES: Cc1cc(C)cc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,3,5-Trimethylbenzene]	1.78			25.0		Kenneth A. Connors 1995

1,3,5-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt2000	None		Not checked

SMILES: Cc1cc(C)cc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1,3,5-Trimethylbenzene]	1.38			25.0		Kenneth A. Connors 1995

1,3,5-trimethyl-benzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				VR_C195	None		Not checked

SMILES: Cc1cc(C)cc(C)c1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3,5-trimethyl-benzene]	1.75	0.85	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[1,3,5-trimethyl-benzene]	1.62	1.08	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[1,3,5-trimethyl-benzene]	1.26	0.48	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[1,3,5-trimethyl-benzene]	1.87	0.48	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[1,3,5-trimethyl-benzene]	1.70	1.11	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

1,3-Butanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
90.12	2	2	-0.25				nt0116	None		Not checked

SMILES: CC(O)CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,3-Butanediol]	4.21			25.0		Kenneth A. Connors 1995

1,3-Butanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
90.12	2	2	-0.25				nt1040	None		Not checked

SMILES: CC(O)CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,3-Butanediol]	4.08			25.0		Kenneth A. Connors 1995