OpenMolDB

Nitrazine Yellow

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
542.36	9	1	4.24				SF_C206	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

Nitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
123.11	1	0	2.12				nt0637	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Nitrobenzene]	1.69			25.0		Kenneth A. Connors 1995

Nitrobenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
123.11	1	0	2.12				nt0638	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Nocloprost

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
400.98	4	3	4.93				nt0720	None		Not checked

SMILES: CCCCC(C)(C)C(O)\C=C\C1C(O)CC(Cl)C1C\C=C\CCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Nocloprost]	3.05			25.0		Kenneth A. Connors 1995

Nocloprost

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
400.98	4	3	4.93				nt1633	None		Not checked

SMILES: CCCCC(C)(C)C(O)\C=C\C1C(O)CC(Cl)C1C\C=C\CCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Nocloprost]	3.37			25.0		Kenneth A. Connors 1995

Nocloprost

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
400.98	4	3	4.93				nt1962	None		Not checked

SMILES: CCCCC(C)(C)C(O)\C=C\C1C(O)CC(Cl)C1C\C=C\CCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Nocloprost]	2.79			25.0		Kenneth A. Connors 1995

Nonanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
188.22	4	2	1.89				SF_C1381	None		Not checked

SMILES: OC(=O)CCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Nonanedioic acid]	2.80	1.32	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1997
[a-Cyclodextrin](1).[Nonanedioic acid]	2.64	0.90	1.3	25.0	Calorimetry	Giuseppina Castronuovo 1997

Nonanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
188.22	4	2	1.89				SF_C1388	None		Not checked

SMILES: OC(=O)CCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Nonanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
158.24	2	1	2.82				SF_C982	None		Not checked

SMILES: CCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Nonanoic acid ]	2.41	1.78	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Nonanoic acid ]	4.00	3.00	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2005

Noradrenaline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
169.18	4	4	0.79				NT_c0269	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Noradrenaline]	2.73				NMR	Seunho Jung 2004
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[Noradrenaline]	2.64				NMR	Seunho Jung 2004

Norbornaneacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.21	2	1	2.04				nt0723	None		Not checked

SMILES: OC(=O)CC12CCC(CC1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Norbornaneacetic acid]	2.52			25.0		Kenneth A. Connors 1995

Norbornaneacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.21	2	1	2.04				nt1639	None		Not checked

SMILES: OC(=O)CC12CCC(CC1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Norbornaneacetic acid]	4.08			25.0		Kenneth A. Connors 1995

Norbornaneacetic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.20	1	0	0.56				nt0724	None		Not checked

SMILES: O=C([O-])CC1CC2CCC1C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Norbornaneacetic acid anion]	2.00			25.0		Kenneth A. Connors 1995

Norbornaneacetic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.20	1	0	0.56				nt0725	None		Not checked

SMILES: O=C([O-])CC1CC2CCC1C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Norbornaneacetic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.20	1	0	0.56				nt1640	None		Not checked

SMILES: O=C([O-])CC1CC2CCC1C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Norbornaneacetic acid anion]	3.79			25.0		Kenneth A. Connors 1995