diphenoxyarsinic acid

C12H11AsO4 — CID 19350187

IUPACdiphenoxyarsinic acid
SMILESO=[As](O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11AsO4/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeyQJASAJZQTBJCMI-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.00
Rot. Bonds4

About diphenoxyarsinic acid

diphenoxyarsinic acid (PubChem CID 19350187) has the molecular formula C12H11AsO4 and a molecular weight of 294.14 g/mol. Its IUPAC name is diphenoxyarsinic acid.

Molecular Properties

Compound Namediphenoxyarsinic acid
PubChem CID19350187
Molecular FormulaC12H11AsO4
Molecular Weight294.14 g/mol
Exact Mass293.99
IUPAC Namediphenoxyarsinic acid
SMILESO=[As](O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11AsO4/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeyQJASAJZQTBJCMI-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diphenoxyarsinic acid 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 diphenoxyarsinic acid?
The IUPAC name of diphenoxyarsinic acid (CID 19350187) is diphenoxyarsinic acid.
What is the SMILES notation for diphenoxyarsinic acid?
The canonical SMILES for diphenoxyarsinic acid is O=[As](O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxyarsinic acid?
The InChIKey is QJASAJZQTBJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11AsO4/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H,(H,14,15).
What are the key properties of diphenoxyarsinic acid?
diphenoxyarsinic acid has a molecular weight of 294.14 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyarsinic acid is sourced from PubChem (CID 19350187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).