CID 177398449

C6H18As3FeO3 — CID 177398449

IUPAC—
SMILESC[As](C)=O.C[As](C)=O.C[As](C)=O.[Fe]
InChIInChI=1S/3C2H6AsO.Fe/c3*1-3(2)4;/h3*1-2H3;
InChIKeyURZHPBMGRBPLHY-UHFFFAOYSA-N
MW418.82 g/mol
LogP2.00
Rot. Bonds

About CID 177398449

CID 177398449 (PubChem CID 177398449) has the molecular formula C6H18As3FeO3 and a molecular weight of 418.82 g/mol.

Molecular Properties

Compound NameCID 177398449
PubChem CID177398449
Molecular FormulaC6H18As3FeO3
Molecular Weight418.82 g/mol
Exact Mass418.83
IUPAC Name—
SMILESC[As](C)=O.C[As](C)=O.C[As](C)=O.[Fe]
InChIInChI=1S/3C2H6AsO.Fe/c3*1-3(2)4;/h3*1-2H3;
InChIKeyURZHPBMGRBPLHY-UHFFFAOYSA-N
XLogP2.00
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 177398449 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 177398449?
The IUPAC name of CID 177398449 (CID 177398449) is not available.
What is the SMILES notation for CID 177398449?
The canonical SMILES for CID 177398449 is C[As](C)=O.C[As](C)=O.C[As](C)=O.[Fe].
What is the InChIKey of CID 177398449?
The InChIKey is URZHPBMGRBPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6AsO.Fe/c3*1-3(2)4;/h3*1-2H3;.
What are the key properties of CID 177398449?
CID 177398449 has a molecular weight of 418.82 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177398449 is sourced from PubChem (CID 177398449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).