OpenMolDB

p-nitrobenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				SF_C562	None		Not checked

SMILES: [O-]C(=O)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzoate]	1.89	0.03	9.2		UV-vis spectroscopy	Agustín G. Asuero 2006

p-nitrofluoroacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
198.15	3	1	2.10				JN_161	None		Not checked

SMILES: [O-][N+](=O)c1ccc(NC(=O)CF)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[p-nitrofluoroacetanilide]	2.00			25.0	UV-vis spectroscopy	Rita H. de Rossi 1995
[b-Cyclodextrin](2).[p-nitrofluoroacetanilide]	1.20	0.78		25.0	UV-vis spectroscopy	Rita H. de Rossi 1995

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				NT_b0130	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[modified-a-cyclodextrin (35)](1).[p-nitrophenol]	2.87		7.2	25.0	Calorimetry	Yu Liu 1998

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				NT_c0201	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrophenol]	2.30			25.0	Potentiometric titration	Kenneth A. Connors 1976
[a-Cyclodextrin](1).[p-nitrophenol]	2.46			25.0	Spectrophotometric method	Kenneth A. Connors 1976
[a-Cyclodextrin](1).[p-nitrophenol]	2.24		3.0	30.0	NMR spectroscopy	Soledad Penades 1993
[a-Cyclodextrin](1).[p-nitrophenol]	3.21		10.0	30.0	NMR spectroscopy	Soledad Penades 1993
[a-Cyclodextrin](1).[p-nitrophenol]	3.20		7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[a-Cyclodextrin](1).[p-nitrophenol]	2.22	0.05	7.0	30.0	NMR spectroscopy	Yoshio Inoue 1992
[a-Cyclodextrin](1).[p-nitrophenol]	2.36	0.01		25.0	UV-vis spectroscopy	Agustín G. Asuero 2006
[a-Cyclodextrin](1).[p-nitrophenol]	3.30	1.60	8.0	25.0	UV-vis spectroscopy	Iwao Suzuki 2006
[a-Cyclodextrin](1).[p-nitrophenol]	2.18	0.48	3.0	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[p-nitrophenol]	2.16	0.70	3.5	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[p-nitrophenol]	2.17	0.30	4.0	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[p-nitrophenol]	3.27	1.38	10.0	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[p-nitrophenol]	3.27	1.30	10.4	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[p-nitrophenol]	3.27	1.30	11.0	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[p-nitrophenol]	3.38	2.48	11.0	25.0	capillary electrophoresis	Daniel W. Armstrong 1996
[a-Cyclodextrin](1).[p-nitrophenol]	3.26	2.48	11.1	25.0	calorimetry	Daniel W. Armstrong 1996
[a-Cyclodextrin](1).[p-nitrophenol]	3.36		11.0	25.0	UV spectroscopy	Daniel W. Armstrong 1996
[a-Cyclodextrin](1).[p-nitrophenol]	2.83		10.0	25.0	NMR spectroscopy	Daniel W. Armstrong 1996
[a-Cyclodextrin](1).[p-nitrophenol]	2.10			25.0	titration calorimetry	Yannis L. Loukas 1997
[a-Cyclodextrin](1).[p-nitrophenol]	2.40			25.0	spectrophotometry	Yannis L. Loukas 1997
[b-Cyclodextrin](1).[p-nitrophenol]	3.34			25.0	Potentiometric titration	Kenneth A. Connors 1976
[b-Cyclodextrin](1).[p-nitrophenol]	3.35			25.0	Spectrophotometric method	Kenneth A. Connors 1976
[b-Cyclodextrin](1).[p-nitrophenol]	2.41		3.0	30.0	NMR spectroscopy	Soledad Penades 1993
[b-Cyclodextrin](1).[p-nitrophenol]	2.82		10.0	30.0	NMR spectroscopy	Soledad Penades 1993
[b-Cyclodextrin](1).[p-nitrophenol]	2.70		7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[p-nitrophenol]	2.27		7.0	30.0	NMR spectroscopy	Yoshio Inoue 1992
[b-Cyclodextrin](1).[p-nitrophenol]	2.84	1.18	8.0	25.0	UV-vis spectroscopy	Iwao Suzuki 2006
[b-Cyclodextrin](1).[p-nitrophenol]	2.42		5.0	25.0	Differential pulse polarography	Carlos Bravo-Diaz 2002
[b-Cyclodextrin](1).[p-nitrophenol]	2.58		14.0	25.0	UV-vis spectroscopy	Carlos Bravo-Diaz 2002
[b-Cyclodextrin](1).[p-nitrophenol]	2.89		10.0	25.0	Differential pulse polarography	Carlos Bravo-Diaz 2002
[b-Cyclodextrin](1).[p-nitrophenol]	2.11			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986
[b-Cyclodextrin](1).[p-nitrophenol]	3.01		10.0	20.0	polarography	Kazumi Fujimura 1986

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C1327	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C1328	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C1669	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[diethylaminoethyl-a-CD](1).[p-nitrophenol]	2.18			20.0	UV-vis spectroscopy	Tatsuhiko Yagi 1993

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C1670	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C1753	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-nitrophenol]	2.73		7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-nitrophenol]	2.34		7.0	25.0	HPLC-method	Michel Morcellet 2004
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[p-nitrophenol]	2.79		7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C1809	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-O-(alpha-Maltosyl)cyclomalto-hexaose](1).[p-nitrophenol]	2.33	0.14	7.0	30.0	NMR spectroscopy	Yoshio Inoue 1992
[6-O-(alpha-Maltosyl)cyclomalto-hexaose](1).[p-nitrophenol]	2.29	0.63	10.0	30.0	NMR spectroscopy	Yoshio Inoue 1992
[6-O-(alpha-Maltosyl)cyclomalto-heptaose](1).[p-nitrophenol]	2.44	0.99	10.0	30.0	NMR spectroscopy	Yoshio Inoue 1992

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C524	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[polymer from b-cyclodextrin (CD) and hexamethylene diisocyanate (HDI)](1).[p-nitrophenol]	9.70		7.0	25.0	UV-vis spectroscopy	DeQuan Li 1999
[polymer from b-cyclodextrin (CD) and toluene 2,6-diisocyanate (TDI)](1).[p-nitrophenol]	9.30		7.0	25.0	UV-vis spectroscopy	DeQuan Li 1999

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C563	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C698	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C77	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bW7 MAHP](1).[p-nitrophenol]	2.16		7.0	25.0	HPLC-method	Michel Morcellet 2004

p-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C870	None		Not checked

SMILES: Oc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref