OpenMolDB

Benzoyltrifluoroacetone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
216.16	2	0	2.39				nt1862	None		Not checked

SMILES: FC(F)(F)C(=O)CC(=O)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Benzoyltrifluoroacetone]	2.20			25.0		Kenneth A. Connors 1995

Benzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.18				nt0082	None		Not checked

SMILES: OCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Benzyl alcohol]	1.33			25.0		Kenneth A. Connors 1995

Benzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.18				nt0083	None		Not checked

SMILES: OCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.18				nt1006	None		Not checked

SMILES: OCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Benzyl alcohol]	1.32			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Benzyl alcohol]	1.80		5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006

Benzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.18				nt1007	None		Not checked

SMILES: OCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.18				nt1008	None		Not checked

SMILES: OCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Benzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
108.14	1	1	1.18				SF_C115	None		Not checked

SMILES: OCc1ccccc1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Benzyl alcohol]	1.73	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Benzyl alcohol]	1.74	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[partially methylated crystallised b-cyclodextrin](1).[Benzyl alcohol]	1.76	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006

Benzyl tert-butyl nitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
178.25	2	0	2.63				SF_C147	None		Not checked

SMILES: CC(C)(C)N([O])Cc1ccccc1

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Benzyl tert-butyl nitroxide]	1.16	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[b-Cyclodextrin](1).[Benzyl tert-butyl nitroxide]	3.11	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[g-Cyclodextrin](1).[Benzyl tert-butyl nitroxide]	1.71	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[Benzyl tert-butyl nitroxide]	3.03	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[Benzyl tert-butyl nitroxide]	1.33	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004

Benzylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
107.15	1	1	1.85				nt0084	None		Not checked

SMILES: NCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Benzylamine]	1.24			25.0		Kenneth A. Connors 1995

Beta-CDC6

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0035	None

SMILES:

Supramolecules

Name	log K	Method	Ref
[Beta-CDC6](1).[Progesterone]	4.39	DSC, FTIR	Erem Memisoglu-Bilensoy 2006
[Beta-CDC6](1).[Testosterone]	3.70	DSC, FTIR	Erem Memisoglu-Bilensoy 2006
[Beta-CDC6](1).[Hydrocortisone]	3.42	DSC, FTIR	Erem Memisoglu-Bilensoy 2006

Betamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				nt0085	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Betamethasone]	2.35			25.0		Kenneth A. Connors 1995

Betamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				nt1009	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Betamethasone]	3.73			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Betamethasone]	2.90	2.00		35.0	HPLC	Nina Sadlej-Sosnowska 1997

Betamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				nt1863	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Betamethasone]	4.33			25.0		Kenneth A. Connors 1995
[g-Cyclodextrin](1).[Betamethasone]	3.50	2.30		35.0	HPLC	Nina Sadlej-Sosnowska 1997

Betamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				VR_C117	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Betamethasone 17-valerate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
476.58	6	2	3.64				nt0086	None		Not checked

SMILES: CCCCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Betamethasone 17-valerate]	2.48			25.0		Kenneth A. Connors 1995