azido(ferriooxy)iron

• ChemBase ID: 1779
• Molecular Formular: Fe2N3O
• Molecular Mass: 169.7095
• Monoisotopic Mass: 169.87401164
• SMILES: [Fe]O[Fe]N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=N[Fe]O[Fe]
• InChI: InChI=1S/2Fe.N3.O/c;;1-3-2;/q;+1;-1
• InChIKey: GTUZFHRZTDZJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azido(ferriooxy)iron
• IUPAC Traditional name: @monoazido-mu-oxo-diiron
• Synonyms: Monoazido-Mu-Oxo-Diiron

Database IDs

• PubChem SID: 160965235; 46507590
• PubChem CID: 4475494

CALCULATED PROPERTIES

• Acid pKa: 5.430935
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.762001
• LogD (pH = 7.4): 1.7339842
• Log P: 1.7934
• Molar Refractivity: 12.2215 cm^3
• Polarizability: 10.109008 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB02013

Drug information: experimental