OpenMolDB

fenoprofen calcium dihydrate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
558.63	6	2	4.54				SF_C1829	None		Not checked

SMILES: O.O.[Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c3cccc(Oc4ccccc4)c3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[fenoprofen calcium dihydrate]	2.40	1.26	7.4	25.0	UV-vis spectroscopy	David Diaz 1999
[a-Cyclodextrin](1).[fenoprofen calcium dihydrate]	2.68	1.69	7.4	25.0	Fluorescence spectroscopy	David Diaz 1999
[b-Cyclodextrin](1).[fenoprofen calcium dihydrate]	2.98	1.97	7.4	25.0	UV-vis spectroscopy	David Diaz 1999
[b-Cyclodextrin](1).[fenoprofen calcium dihydrate]	3.00	2.16	7.4	25.0	Fluorescence spectroscopy	David Diaz 1999
[g-Cyclodextrin](1).[fenoprofen calcium dihydrate]	1.72	0.29	7.4	25.0	UV-vis spectroscopy	David Diaz 1999
[g-Cyclodextrin](1).[fenoprofen calcium dihydrate]	1.80	-0.29	7.4	25.0	Fluorescence spectroscopy	David Diaz 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fenoprofen calcium dihydrate]	2.85	1.62	7.4	25.0	UV-vis spectroscopy	David Diaz 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fenoprofen calcium dihydrate]	3.08	2.02	7.4	25.0	Fluorescence spectroscopy	David Diaz 1999

fenoxaprop-p-ethyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
361.78	5	0	4.60				JN_AH_1	None		Not checked

SMILES: CCOC(=O)[C@@H](C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[fenoxaprop-p-ethyl]	2.70	6.0	25.0	differential scanning calorimetry, infrared spectroscopy, X-ray diffraction	Weiping Liu 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fenoxaprop-p-ethyl]	2.77	6.0	25.0	differential scanning calorimetry, infrared spectroscopy, X-ray diffraction	Weiping Liu 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[fenoxaprop-p-ethyl]	3.62	6.0	25.0	differential scanning calorimetry, infrared spectroscopy, X-ray diffraction	Weiping Liu 2005

fentanyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
336.47	3	0	4.07				NT_b0174	None		Not checked

SMILES: CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3

Supramolecules

Name	log K	pH	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fentanyl]	1.86	6.5	phase solubility	J. Plaizier-Vercammen 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fentanyl]	2.03	7.2	phase solubility	J. Plaizier-Vercammen 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fentanyl]	2.90	8.0	phase solubility	J. Plaizier-Vercammen 2003
[sulfobutylether-b-cyclodextrin](1).[fentanyl]	2.86	8.0	phase solubility	J. Plaizier-Vercammen 2003
[6-O-Monomaltosyl-b-Cyclodextrin](1).[fentanyl]	3.12	8.0	phase solubility	J. Plaizier-Vercammen 2003

fenvalerate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
419.90	4	0	6.68				JN_200	None		Not checked

SMILES: CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[fenvalerate]	2.50	1.79	10.0	20.0	fluorescence spectroscopy, photochemically induced fluorescence method	Jean-Jacques Aaron 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[fenvalerate]	2.18	1.66	10.0	20.0	fluorescence spectroscopy, photochemically induced fluorescence method	Jean-Jacques Aaron 1998

ferrocene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
186.03	0	0	2.81				JN_J_1	None		Not checked

SMILES: [Fe++].[cH-]1cccc1.[cH-]2cccc2

Supramolecules

Name	log K	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ferrocene]	2.71	25.0	induced circular dichroism	Udo H.Brinker 2006
[b-Cyclodextrin](1).[ferrocene]	1.78	25.0	cyclic voltametric titration	Udo H.Brinker 2006
[b-Cyclodextrin](1).[ferrocene]	1.70	25.0	polarimetry	Udo H.Brinker 2006

ferrocene derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1390	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ferrocene derivative ]	3.33	2.40	8.6	25.0	Calorimetry	Cecil M. Criss 1997

ferrocene derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1394	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

ferrocenecarboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C122	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-Monodeoxy-6-monoamino-b-Cyclodextrin](1).[ferrocenecarboxylate]	4.36		8.0	25.0	Voltametry (OSWV)	Angel E. Kaifer 1998

ferrocenemethanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C128	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxyethylated-a-Cyclodextrin (DS ~3)](1).[ferrocenemethanol]	3.32		7.0	25.0	X-band EPR measurements	Nada M. Dimitrijevic 2004

ferrocenyl azide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_J_2	None

SMILES:

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ferrocenyl azide]	2.26	0.70	25.0	induced circular dichroism	Udo H.Brinker 2006
[b-Cyclodextrin](1).[ferrocenyl azide]	2.28	1.30	25.0	UV-Vis spectroscopy	Udo H.Brinker 2006
[b-Cyclodextrin](1).[ferrocenyl azide]	0.70		25.0	NMR spectroscopy	Udo H.Brinker 2006

ferulic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.18	4	2	1.50				SF_C842	None		Not checked

SMILES: COc1cc(\C=C\C(O)=O)ccc1O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[ferulic acid]	3.05	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[ferulic acid]	3.61	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[g-Cyclodextrin](1).[ferulic acid]	2.85	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[ferulic acid]	3.20	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[ferulic acid]	2.55	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

flourescein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
332.31	4	2	3.97				SF_C856	None		Not checked

SMILES: C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[flourescein]	1.07		6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002

fluorenone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.20	1	0	2.61				SF_C585	None		Not checked

SMILES: O=C1C=CC=C2c3ccccc3C=C12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[fluorenone]	2.65	1.70	7.0	25.0	Induced circular dichroism	B. Mayer 1999

fluorobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
96.10	0	0	1.83				JN_102	None		Not checked

SMILES: Fc1ccccc1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[fluorobenzene]	1.60	0.20	25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[a-Cyclodextrin](1).[fluorobenzene]	1.53		25.0		Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[fluorobenzene]	1.96	1.30	25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[fluorobenzene]	1.85	1.48	25.0		Qing-Xiang Guo 1998

fluoxetine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
309.33	2	1	4.83				NT_b0165	None		Not checked

SMILES: CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[fluoxetine]	-2.36		7.2	20.0		J.J. Berzas 2002
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[fluoxetine]	-2.34		7.2	20.0	Benesi-Hildebrand method	J.J. Berzas 2002