1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane

• ChemBase ID: 127188
• Molecular Formular: C11H11Cl2N
• Molecular Mass: 228.11774
• Monoisotopic Mass: 227.02685472
• SMILES: C1C2CNCC12c1cc(Cl)c(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1Cl)C12CNCC2C1
• InChI: InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
• InChIKey: BSMNRYCSBFHEMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
• IUPAC Traditional name: 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
• Synonyms: DOV-216,303

Database IDs

• PubChem SID: 162221510
• PubChem CID: 9795276
• Wikipedia Title: DOV-216,303

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4797196
• LogD (pH = 7.4): -0.099218056
• Log P: 2.7544641
• Molar Refractivity: 58.8771 cm^3
• Polarizability: 23.29006 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true