OpenMolDB

c-HexOH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1287	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[c-HexOH]	2.74	1.79	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

c-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1434	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[c-heptanol ]	1.58	0.48	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998

c-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1433	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[c-hexanol ]	2.20	0.95	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998

c-octanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1435	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[c-octanol]	1.58	0.85	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998

c-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1432	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[c-pentanol ]	2.11	0.70	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998

cadaverine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.18	2	2	1.47				SF_C439	None		Not checked

SMILES: NCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[cadaverine]	1.46	0.45	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[cadaverine]	1.62	0.32	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[cadaverine]	1.05	0.36	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cadaverine]	1.21	-0.70	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[cadaverine]	1.98	0.99	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[cadaverine]	1.14	0.04	7.0	22.0	NMR titration	Daniel W. Armstrong 2006

caffeine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.19	3	0	-1.03				NT_a0065	None		Not checked

SMILES: Cn1cnc2N(C)C(=O)N(C)C(=O)c12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[caffeine]	2.44	1.58		25.0	fluorescence spectroscopy	Aicart, Emilio 2003

calcichrome

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
1112.77	20	4	5.60				JN_38	None		Not checked

SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Oc1cc(cc2C=C(\C(=N/Nc3cc(cc4C=C(\C(=N/Nc5cc(cc6cc(cc(O)c56)[S]([O-])(=O)=O)[S]([O-])(=O)=O)C(=O)c34)[S]([O-])(=O)=O)[S]([O-])(=O)=O)C(=O)c12)[S]([O-])(=O)=O)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[calcichrome]	2.76	2.11	25.0	NMR spectroscopy	Bo-Long Poh 1996
[b-Cyclodextrin](1).[calcichrome]	2.58	1.90	25.0	NMR spectroscopy	Bo-Long Poh 1996
[g-Cyclodextrin](1).[calcichrome]	2.63	2.15	25.0	NMR spectroscopy	Bo-Long Poh 1996

calcium acetylhomotaurinate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
400.48	8	2	1.06				JN_111	None		Not checked

SMILES: CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[calcium acetylhomotaurinate]	0.66	-0.40	40.0	NMR spectroscopy	Irina N. Topchieva 1998
[a-Cyclodextrin](1).[calcium acetylhomotaurinate]	0.48	-0.70	50.0	NMR spectroscopy	Irina N. Topchieva 1998
[a-Cyclodextrin](1).[calcium acetylhomotaurinate]	0.32	-0.70	60.0	NMR spectroscopy	Irina N. Topchieva 1998
[b-Cyclodextrin](1).[calcium acetylhomotaurinate]	3.26	2.30	30.0	NMR spectroscopy	Irina N. Topchieva 1998
[b-Cyclodextrin](1).[calcium acetylhomotaurinate]	3.03	1.30	50.0	NMR spectroscopy	Irina N. Topchieva 1998
[b-Cyclodextrin](1).[calcium acetylhomotaurinate]	2.93	1.60	70.0	NMR spectroscopy	Irina N. Topchieva 1998
[poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate]	0.32	-1.00	40.0	NMR spectroscopy	Irina N. Topchieva 1998
[poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate]	2.51	1.30	30.0	NMR spectroscopy	Irina N. Topchieva 1998
[poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate]	2.23	1.00	50.0	NMR spectroscopy	Irina N. Topchieva 1998
[poly(ethylene oxide)-modified ACD](1).[calcium acetylhomotaurinate]	1.80	0.30	70.0	NMR spectroscopy	Irina N. Topchieva 1998

camphanate ester of 2,3-diazabicyclo[2.2.2]oct-2-ene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C45	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[camphanate ester of 2,3-diazabicyclo[2.2.2]oct-2-ene]	3.08	2.26	7.0	25.0	NMR spectroscopy	Werner M. Nau 2005
[b-Cyclodextrin](2).[camphanate ester of 2,3-diazabicyclo[2.2.2]oct-2-ene]	2.11	1.00	7.0	25.0	NMR spectroscopy	Werner M. Nau 2005

camphanate ester of 2,3-diazabicyclo[2.2.2]oct-2-ene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C46	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

camphor

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	0	2.40				SF_C622	None		Not checked

SMILES: CC1(C)C2CCC1(C)C(=O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[camphor]	3.78	2.78	7.0	27.0	NMR spectroscopy	Svetlana Simova 2005

cannabidiol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
314.46	2	2	5.85				SF_C547	None		Not checked

SMILES: CCCCCc1cc(O)c(C2C=C(C)CC[C@H]2C(C)=C)c(O)c1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[cannabidiol]	4.14	7.4	25.0	HPLC method	Janne Mannila 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[cannabidiol]	5.68	7.4	25.0	HPLC method	Janne Mannila 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](0.5).[cannabidiol]	0.90	7.4	25.0	HPLC method	Janne Mannila 2005

carbaryl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
201.22	3	1	2.95				NT_a0047	None		Not checked

SMILES: CNC(=O)Oc1cccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[carbaryl]	2.46	1.32		25.0	phase solubility	La Rotonda, Maria Immacolata 2000

carbinoxamine maleate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
406.86	7	2	3.11				JN_A_2	None		Not checked

SMILES: CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2.OC(=O)\C=C/C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[carbinoxamine maleate]	2.26	1.18	3.0	25.0	Capillary electrophoresis	Yvette Michotte 2004
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](2).[carbinoxamine maleate]	2.32	1.18	3.0	25.0	Capillary electrophoresis	Yvette Michotte 2004