chloro(ferriooxy)iron

• ChemBase ID: 3337
• Molecular Formular: ClFe2O
• Molecular Mass: 163.1424
• Monoisotopic Mass: 162.8336423
• SMILES: Cl[Fe]O[Fe]
• Canonical SMILES: Cl[Fe]O[Fe]
• InChI: InChI=1S/ClH.2Fe.O/h1H;;;/q;;+1;/p-1
• InChIKey: KBTPJIQAZMMQJH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(ferriooxy)iron
• IUPAC Traditional name: @chloro diiron-oxo moiety
• Synonyms: Chloro Diiron-Oxo Moiety

Database IDs

• PubChem SID: 160966778; 46508423
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7057
• LogD (pH = 7.4): 1.7057
• Log P: 1.7057
• Molar Refractivity: 7.4865 cm^3
• Polarizability: 9.623604 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB03681

Drug information: experimental