OpenMolDB

m-nitro-phenylacetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.14	2	0	0.41				JN_193	None		Not checked

SMILES: [O-]C(=O)Cc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-nitro-phenylacetate]	1.61		7.0	25.0	spectophotometry	Yoshihiro Taniguchi 1982

m-nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				NT_b0131	None		Not checked

SMILES: Nc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[modified-a-cyclodextrin (35)](1).[m-nitroaniline]	3.05		7.2	25.0	Calorimetry	Yu Liu 1998

m-nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				JN_429	None		Not checked

SMILES: Nc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-nitroaniline]	1.41			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				JN_452	None		Not checked

SMILES: Nc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[DIMEA](1).[m-nitroaniline]	3.05			25.0	circular dichroism	Yoshihisa Inoue 1993

m-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				NT_b0129	None		Not checked

SMILES: Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[modified-a-cyclodextrin (35)](1).[m-nitrophenol]	2.82		7.2	25.0	Calorimetry	Yu Liu 1998

m-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				SF_C76	None		Not checked

SMILES: Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-nitrophenol]	2.26		7.0	25.0	HPLC-method	Michel Morcellet 2004
[bW7 MAHP](1).[m-nitrophenol]	2.10		7.0	25.0	HPLC-method	Michel Morcellet 2004

m-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				JN_48	None		Not checked

SMILES: Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-nitrophenol]	2.64	1.78	11.0	25.0	capillary electrophoresis	Daniel W. Armstrong 1996
[a-Cyclodextrin](1).[m-nitrophenol]	2.31	0.48	11.1	25.0	calorimetry	Daniel W. Armstrong 1996

m-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				JN_414	None		Not checked

SMILES: Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-nitrophenol]	1.95			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986
[b-Cyclodextrin](1).[m-nitrophenol]	2.17		10.0	20.0	polarography	Kazumi Fujimura 1986

m-nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				JN_450	None		Not checked

SMILES: Oc1cccc(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[DIMEA](1).[m-nitrophenol]	2.82			25.0	circular dichroism	Yoshihisa Inoue 1993

m-nitrophenyl isonicotinate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.20	4	0	2.73				JN_64	None		Not checked

SMILES: [O-][N+](=O)c1cccc(OC(=O)c2ccncc2)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-nitrophenyl isonicotinate]	1.95		9.5	25.0	NMR spectroscopy	Paolo Scrimin 1997
[b-Cyclodextrin](1).[m-nitrophenyl isonicotinate]	2.20		9.5	25.0	NMR spectroscopy	Paolo Scrimin 1997

m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0108	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[neutral red]	2.68		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[acridine red]	3.42		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[ammonium 8-anilino-1-naphthalenesulfonate]	2.01		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[sodium-6-toluidino-2-naphthalenesulfonate]	3.56		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[rhodamine B]	3.63		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0245	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[neutral red]	2.94		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[acridine red]	3.97		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[ammonium 8-anilino-1-naphthalenesulfonate]	3.56		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[sodium-6-toluidino-2-naphthalenesulfonate]	3.96		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[rhodamine B]	3.71		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

m-xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				VR_C192	None		Not checked

SMILES: Cc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-xylene]	1.56	0.60		25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[m-xylene]	2.00	0.78		25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[m-xylene]	1.26	1.08		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[m-xylene]	2.33	1.18		25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-xylene]	2.22	1.11		25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[m-xylene]	2.71	1.79		25.0	GC (SHSGC)	É. Fenyvesi 2005

magnolol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.33	2	2	4.22				SF_C843	None		Not checked

SMILES: Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[magnolol]	3.62		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[magnolol]	3.71		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[g-Cyclodextrin](1).[magnolol]	3.07		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[magnolol]	4.33		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[magnolol]	2.80		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

maleic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.07	4	2	-0.29				JN_307	None		Not checked

SMILES: OC(=O)\C=C/C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[maleic acid]	1.09	0.18			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[g-Cyclodextrin](1).[maleic acid]	0.32	-0.52			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993