2,2-dichloro-1,3-diaza-2-platinacyclopentane

• ChemBase ID: 111041
• Molecular Formular: C2H6Cl2N2Pt
• Molecular Mass: 324.06644
• Monoisotopic Mass: 322.95559456
• SMILES: Cl[Pt]1(Cl)NCCN1
• Canonical SMILES: Cl[Pt]1(Cl)NCCN1
• InChI: InChI=1S/C2H6N2.2ClH.Pt/c3-1-2-4;;;/h3-4H,1-2H2;2*1H;/q-2;;;+4/p-2
• InChIKey: IROITDSZMKWTSF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-1,3-diaza-2-platinacyclopentane
• IUPAC Traditional name: 2,2-dichloro-1,3-diaza-2-platinacyclopentane
• Synonyms: PLATINUM ETHYLENEDIAMINE DICHLORIDE

Database IDs

• CAS Number: 14096-51-6
• PubChem SID: 162096215
• PubChem CID: 420587

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6294541
• LogD (pH = 7.4): 0.3114782
• Log P: 0.3566
• Molar Refractivity: 49.5268 cm^3
• Polarizability: 18.731573 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true