OpenMolDB

Ethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.25				nt0365	None		Not checked

SMILES: CCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Ethylbenzene]	2.04			25.0		Kenneth A. Connors 1995

Ethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.25				nt1273	None		Not checked

SMILES: CCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Ethylbenzene]	2.52			25.0		Kenneth A. Connors 1995

Ethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.25				nt1918	None		Not checked

SMILES: CCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Ethylbenzene]	1.56			25.0		Kenneth A. Connors 1995

Ethylene glycol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
62.07	2	2	-1.03				nt1284	None		Not checked

SMILES: OCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Ethylene glycol]	-0.15			25.0		Kenneth A. Connors 1995

Eugenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
164.20	2	1	2.13				SF_C113	None		Not checked

SMILES: COc1cc(CC=C)ccc1O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Eugenol]	2.51	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Eugenol]	2.65	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Eugenol]	2.72	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[partially methylated crystallised b-cyclodextrin](1).[Eugenol]	2.60	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006

Fe(III)-tetrakis(sulfonatophenyl)porphyrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C150	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Fe(III)-tetrakis(sulfonatophenyl)porphyrin]	1.54	0.07	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006
[g-Cyclodextrin](1).[Fe(III)-tetrakis(sulfonatophenyl)porphyrin]	0.64	0.08	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Fe(III)-tetrakis(sulfonatophenyl)porphyrin]	3.59	0.02	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006
[2-O-(2-Hydroxy)propyl-g-Cyclodextrin](1).[Fe(III)-tetrakis(sulfonatophenyl)porphyrin]	1.89	0.06	6.0	25.0	UV-Vis spectroscopy	Masami Fukushima 2006

Femoxetine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
311.42	3	0	3.75				nt1319	None		Not checked

SMILES: COc1ccc(OCC2CN(C)CCC2c3ccccc3)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Femoxetine]	3.70			25.0		Kenneth A. Connors 1995

Femoxetine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
311.42	3	0	3.75				nt1320	None		Not checked

SMILES: COc1ccc(OCC2CN(C)CCC2c3ccccc3)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Ferrocenemonocarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0394	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Ferrocenemonocarboxylic acid anion]	2.11			25.0		Kenneth A. Connors 1995

Ferrocenemonocarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1321	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Ferrocenemonocarboxylic acid anion]	3.38			25.0		Kenneth A. Connors 1995

Ferrocenemonocarboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1919	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Ferrocenemonocarboxylic acid anion]	2.34			25.0		Kenneth A. Connors 1995

Fludiazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
302.73	3	0	2.79				nt0395	None		Not checked

SMILES: CN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Fludiazepam]	1.43			25.0		Kenneth A. Connors 1995
[a-Cyclodextrin](1).[Fludiazepam]	1.43		7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

Fludiazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
302.73	3	0	2.79				nt1322	None		Not checked

SMILES: CN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Fludiazepam]	2.34			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Fludiazepam]	2.34		7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

Fludiazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
302.73	3	0	2.79				nt1920	None		Not checked

SMILES: CN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Fludiazepam]	2.28			25.0		Kenneth A. Connors 1995
[g-Cyclodextrin](1).[Fludiazepam]	2.28		7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

Fludiazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
302.73	3	0	2.79				SF_C1726	None		Not checked

SMILES: CN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref