sodium hydroxy(phenyl)arsinate

C6H6AsNaO3 — CID 71459681

IUPACsodium hydroxy(phenyl)arsinate
SMILESO=[As]([O-])(O)c1ccccc1.[Na+]
InChIInChI=1S/C6H7AsO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);/q;+1/p-1
InChIKeyLUPBXZHKOCCQGV-UHFFFAOYSA-M
MW224.02 g/mol
LogP-4.38
Rot. Bonds1

About sodium hydroxy(phenyl)arsinate

sodium hydroxy(phenyl)arsinate (PubChem CID 71459681) has the molecular formula C6H6AsNaO3 and a molecular weight of 224.02 g/mol. Its IUPAC name is sodium hydroxy(phenyl)arsinate.

Molecular Properties

Compound Namesodium hydroxy(phenyl)arsinate
PubChem CID71459681
Molecular FormulaC6H6AsNaO3
Molecular Weight224.02 g/mol
Exact Mass223.94
IUPAC Namesodium hydroxy(phenyl)arsinate
SMILESO=[As]([O-])(O)c1ccccc1.[Na+]
InChIInChI=1S/C6H7AsO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);/q;+1/p-1
InChIKeyLUPBXZHKOCCQGV-UHFFFAOYSA-M
XLogP-4.38
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.02
LogP ≤ 5-4.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium hydroxy(phenyl)arsinate 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 sodium hydroxy(phenyl)arsinate?
The IUPAC name of sodium hydroxy(phenyl)arsinate (CID 71459681) is sodium hydroxy(phenyl)arsinate.
What is the SMILES notation for sodium hydroxy(phenyl)arsinate?
The canonical SMILES for sodium hydroxy(phenyl)arsinate is O=[As]([O-])(O)c1ccccc1.[Na+].
What is the InChIKey of sodium hydroxy(phenyl)arsinate?
The InChIKey is LUPBXZHKOCCQGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7AsO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);/q;+1/p-1.
What are the key properties of sodium hydroxy(phenyl)arsinate?
sodium hydroxy(phenyl)arsinate has a molecular weight of 224.02 g/mol, XLogP of -4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy(phenyl)arsinate is sourced from PubChem (CID 71459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).