N-(2-nitrosophenyl)hydroxylamine;zinc

C6H6N2O2Zn — CID 87066899

IUPACN-(2-nitrosophenyl)hydroxylamine;zinc
SMILESO=Nc1ccccc1NO.[Zn]
InChIInChI=1S/C6H6N2O2.Zn/c9-7-5-3-1-2-4-6(5)8-10;/h1-4,7,9H;
InChIKeyWFYGEJFUGYKWDV-UHFFFAOYSA-N
MW203.52 g/mol
LogP1.88
Rot. Bonds2

About N-(2-nitrosophenyl)hydroxylamine;zinc

N-(2-nitrosophenyl)hydroxylamine;zinc (PubChem CID 87066899) has the molecular formula C6H6N2O2Zn and a molecular weight of 203.52 g/mol. Its IUPAC name is N-(2-nitrosophenyl)hydroxylamine;zinc.

Molecular Properties

Compound NameN-(2-nitrosophenyl)hydroxylamine;zinc
PubChem CID87066899
Molecular FormulaC6H6N2O2Zn
Molecular Weight203.52 g/mol
Exact Mass201.97
IUPAC NameN-(2-nitrosophenyl)hydroxylamine;zinc
SMILESO=Nc1ccccc1NO.[Zn]
InChIInChI=1S/C6H6N2O2.Zn/c9-7-5-3-1-2-4-6(5)8-10;/h1-4,7,9H;
InChIKeyWFYGEJFUGYKWDV-UHFFFAOYSA-N
XLogP1.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-nitrosophenyl)hydroxylamine;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrosophenyl)hydroxylamine;zinc?
The IUPAC name of N-(2-nitrosophenyl)hydroxylamine;zinc (CID 87066899) is N-(2-nitrosophenyl)hydroxylamine;zinc.
What is the SMILES notation for N-(2-nitrosophenyl)hydroxylamine;zinc?
The canonical SMILES for N-(2-nitrosophenyl)hydroxylamine;zinc is O=Nc1ccccc1NO.[Zn].
What is the InChIKey of N-(2-nitrosophenyl)hydroxylamine;zinc?
The InChIKey is WFYGEJFUGYKWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.Zn/c9-7-5-3-1-2-4-6(5)8-10;/h1-4,7,9H;.
What are the key properties of N-(2-nitrosophenyl)hydroxylamine;zinc?
N-(2-nitrosophenyl)hydroxylamine;zinc has a molecular weight of 203.52 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrosophenyl)hydroxylamine;zinc is sourced from PubChem (CID 87066899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).