CID 173085004

C8H9As — CID 173085004

IUPAC—
SMILESCCc1ccccc1[As]
InChIInChI=1S/C8H9As/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKeyQUZZCNAPLHMYFT-UHFFFAOYSA-N
MW180.08 g/mol
LogP1.04
Rot. Bonds1

About CID 173085004

CID 173085004 (PubChem CID 173085004) has the molecular formula C8H9As and a molecular weight of 180.08 g/mol.

Molecular Properties

Compound NameCID 173085004
PubChem CID173085004
Molecular FormulaC8H9As
Molecular Weight180.08 g/mol
Exact Mass179.99
IUPAC Name—
SMILESCCc1ccccc1[As]
InChIInChI=1S/C8H9As/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKeyQUZZCNAPLHMYFT-UHFFFAOYSA-N
XLogP1.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173085004 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 CID 173085004?
The IUPAC name of CID 173085004 (CID 173085004) is not available.
What is the SMILES notation for CID 173085004?
The canonical SMILES for CID 173085004 is CCc1ccccc1[As].
What is the InChIKey of CID 173085004?
The InChIKey is QUZZCNAPLHMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9As/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3.
What are the key properties of CID 173085004?
CID 173085004 has a molecular weight of 180.08 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173085004 is sourced from PubChem (CID 173085004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).