OpenMolDB

niclosamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.12	4	2	4.46				SF_C1478	None		Not checked

SMILES: Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[niclosamide]	1.30		7.0	30.0	HPLC-method	Melgardt M. de Villiers 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](0.5).[niclosamide]	2.53		7.0	30.0	HPLC-method	Melgardt M. de Villiers 2005

nimesulide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.31	5	1	4.44				SF_C1667	None		Not checked

SMILES: C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[nimesulide]	2.73	7.0	25.0	UV-vis spectroscopy	M.I. La Rotonda 2000
[b-Cyclodextrin](1).[nimesulide]	2.72	7.7	25.0	HPLC-method	Eric Peyrin 2002
[b-Cyclodextrin](1).[nimesulide]	2.66	7.7	30.0	HPLC-method	Eric Peyrin 2002
[b-Cyclodextrin](1).[nimesulide]	2.59	7.7	35.0	HPLC-method	Eric Peyrin 2002
[b-Cyclodextrin](1).[nimesulide]	2.55	7.7	40.0	HPLC-method	Eric Peyrin 2002

nimesulide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.31	5	1	4.44				SF_C587	None		Not checked

SMILES: C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nimesulide]	2.27	0.55	7.0	28.0	UV-vis spectroscopy	Buchi N. Nalluri 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nimesulide]	3.11		7.7	25.0	HPLC-method	Eric Peyrin 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nimesulide]	3.06		7.7	30.0	HPLC-method	Eric Peyrin 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nimesulide]	3.04		7.7	35.0	HPLC-method	Eric Peyrin 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nimesulide]	3.03		7.7	40.0	HPLC-method	Eric Peyrin 2002

nimesulide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.31	5	1	4.44				SF_C807	None		Not checked

SMILES: C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

nimodipine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
418.44	7	1	3.82				SF_C785	None		Not checked

SMILES: COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nimodipine]	1.79	1.15	7.0	25.0	UV-vis spectroscopy	Frantisek Kopecky 2001
[2-O-(2-Hydroxy)propyl-a-Cyclodextrin](1).[nimodipine]	1.99	1.00	7.0	25.0	UV-vis spectroscopy	Frantisek Kopecky 2001
[b-Cyclodextrin](1).[nimodipine]	2.74	1.51	7.0	25.0	UV-vis spectroscopy	Frantisek Kopecky 2001
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[nimodipine]	3.23	1.85	7.0	25.0	UV-vis spectroscopy	Frantisek Kopecky 2001
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[nimodipine]	2.66	1.63	7.0	25.0	UV-vis spectroscopy	Frantisek Kopecky 2001
[2-O-(2-Hydroxy)propyl-g-Cyclodextrin](1).[nimodipine]	1.72	1.18	7.0	25.0	UV-vis spectroscopy	Frantisek Kopecky 2001

nitrate ion (NO3-)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_310	None

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nitrate ion (NO3-)]	0.91	0.23			freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[b-Cyclodextrin](1).[nitrate ion (NO3-)]	1.75				freezing point depression method, osmotic measurements	Masahiko Suzuki 1993

nitrazine yellow

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
542.36	9	1	4.24				SF_C560	None		Not checked

SMILES: [Na+].[Na+].[O-][N+](=O)c1ccc(N\N=C\2C(=O)c3ccc(cc3C=C2[S]([O-])(=O)=O)[S]([O-])(=O)=O)c(c1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nitrazine yellow]	1.88	0.02	9.2		UV-vis spectroscopy	Agustín G. Asuero 2006

nitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
123.11	1	0	2.12				SF_C869	None		Not checked

SMILES: [O-][N+](=O)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[nitrobenzene]	2.11		5.0	25.0	Differential pulse polarography	Carlos Bravo-Diaz 2002
[b-Cyclodextrin](1).[nitrobenzene]	2.45	1.08		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[nitrobenzene]	1.70	0.48				Qing-Xiang Guo 1998

nitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
123.11	1	0	2.12				JN_101	None		Not checked

SMILES: [O-][N+](=O)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nitrobenzene]	1.95	0.68		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[a-Cyclodextrin](1).[nitrobenzene]	1.69	1.00				Qing-Xiang Guo 1998

nonane-1,9-diol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.25	2	2	1.70				SF_C1442	None		Not checked

SMILES: OCCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nonane-1,9-diol ]	3.19	1.98	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[nonane-1,9-diol ]	3.30	2.13	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1998

nonanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
158.24	2	1	2.82				SF_C1422	None		Not checked

SMILES: CCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nonanoic acid]	2.99	1.68	1.3	25.0	Calorimetry	Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[nonanoic acid]	2.40	1.30	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1998

nonanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
158.24	2	1	2.82				SF_C1428	None		Not checked

SMILES: CCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

nonanoic acid (bent form)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_34	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[nonanoic acid (bent form)]	5.40	4.30	11.3	25.0	calorimetry	Giuseppina Castronuovo 1996

norepinephrine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
169.18	4	4	0.79				SF_C644	None		Not checked

SMILES: NCC(O)c1ccc(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[norepinephrine]	3.01	2.54	7.4	25.0	Microchip-affinity capillary electrophoresis	Maria A. Schwarz 2005
[Sulfated-b-Cyclodextrin](1).[norepinephrine]	3.19		7.4	25.0	Affinity capillary electrophoresis	Maria A. Schwarz 2005

norflurazon

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
303.67	3	1	3.02				SF_C849	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
[b-Cyclodextrin](1).[norflurazon]	2.56		7.0	25.0	HPLC-method	Jaime Villaverde 2004
[b-Cyclodextrin](1).[norflurazon]	2.56				HPLC	Jaime Villaverde 2006