sodium (4-aminophenyl)-hydroxyarsinate

C6H7AsNNaO3 — CID 23670523

IUPACsodium (4-aminophenyl)-hydroxyarsinate
SMILESNc1ccc([As](=O)([O-])O)cc1.[Na+]
InChIInChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-1
InChIKeyOUFRIWNNMFWZTM-UHFFFAOYSA-M
MW239.04 g/mol
LogP-4.80
Rot. Bonds1

About sodium (4-aminophenyl)-hydroxyarsinate

sodium (4-aminophenyl)-hydroxyarsinate (PubChem CID 23670523) has the molecular formula C6H7AsNNaO3 and a molecular weight of 239.04 g/mol. Its IUPAC name is sodium (4-aminophenyl)-hydroxyarsinate.

Molecular Properties

Compound Namesodium (4-aminophenyl)-hydroxyarsinate
PubChem CID23670523
Molecular FormulaC6H7AsNNaO3
Molecular Weight239.04 g/mol
Exact Mass238.95
IUPAC Namesodium (4-aminophenyl)-hydroxyarsinate
SMILESNc1ccc([As](=O)([O-])O)cc1.[Na+]
InChIInChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-1
InChIKeyOUFRIWNNMFWZTM-UHFFFAOYSA-M
XLogP-4.80
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 5-4.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium (4-aminophenyl)-hydroxyarsinate 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 (4-aminophenyl)-hydroxyarsinate?
The IUPAC name of sodium (4-aminophenyl)-hydroxyarsinate (CID 23670523) is sodium (4-aminophenyl)-hydroxyarsinate.
What is the SMILES notation for sodium (4-aminophenyl)-hydroxyarsinate?
The canonical SMILES for sodium (4-aminophenyl)-hydroxyarsinate is Nc1ccc([As](=O)([O-])O)cc1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)-hydroxyarsinate?
The InChIKey is OUFRIWNNMFWZTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-1.
What are the key properties of sodium (4-aminophenyl)-hydroxyarsinate?
sodium (4-aminophenyl)-hydroxyarsinate has a molecular weight of 239.04 g/mol, XLogP of -4.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-aminophenyl)-hydroxyarsinate is sourced from PubChem (CID 23670523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).