OpenMolDB

norflurazon

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
303.67	3	1	3.02				JN_H_1	None		Not checked

SMILES: CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[norflurazon]	1.71	0.20		25.0	HPLC, fluorescence spectroscopy	Jaime Villaverde 2005
[g-Cyclodextrin](1).[norflurazon]	1.57	0.23		25.0	HPLC, fluorescence spectroscopy	Jaime Villaverde 2005

norflurazon

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
303.67	3	1	3.02				JN_I_1	None		Not checked

SMILES: CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

norharmane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.19	1	1	2.72				SF_C538	None		Not checked

SMILES: [nH]1c2ccccc2c3ccncc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[norharmane]	1.54		7.0		Fluorescence spectroscopy	Nitin Chattopadhyay 2005
[b-Cyclodextrin](2).[norharmane]	4.72		7.0		Fluorescence spectroscopy	Nitin Chattopadhyay 2005

notriptylin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1819	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[notriptylin]	4.22	1.78	6.0	25.0	Measurements with ion selective electrode	Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[notriptylin]	4.57	2.48	6.0	5.0	Measurements with ion selective electrode	Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[notriptylin]	4.38	2.30	6.0	15.0	Measurements with ion selective electrode	Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[notriptylin]	3.92	1.70	6.0	37.0	Measurements with ion selective electrode	Panayotis E. Macheras 1992
[a-Cyclodextrin](1).[notriptylin]	1.94	0.95	6.0	25.0	Measurements with ion selective electrode	Panayotis E. Macheras 1992

o-Cresolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
346.38	4	2	4.18				nt1108	None		Not checked

SMILES: Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-Cresolphthalein]	2.34			25.0		Kenneth A. Connors 1995

o-Cresolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
346.38	4	2	4.18				nt1109	None		Not checked

SMILES: Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

o-Cresolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
346.38	4	2	4.18				nt1110	None		Not checked

SMILES: Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

o-Cresolphthalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
346.38	4	2	4.18				nt1881	None		Not checked

SMILES: Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[o-Cresolphthalein]	2.18			25.0		Kenneth A. Connors 1995

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				NT_b0182	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[o-Xylene]	2.42			25.0	modified static head-space gas chromatography method (M-SHSGC)	Yoshihiro Saito 2005

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt0869	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[o-Xylene]	1.20			25.0		Kenneth A. Connors 1995

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt0870	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt1833	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[o-Xylene]	2.32			25.0		Kenneth A. Connors 1995

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt1834	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt2002	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[o-Xylene]	1.53			25.0		Kenneth A. Connors 1995

o-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				SF_C426	None		Not checked

SMILES: Cc1ccccc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref