1-[2-(4-chlorophenyl)morpholin-4-yl]-2-cyclopropylethan-1-one

• ChemBase ID: 402522
• Molecular Formular: C15H18ClNO2
• Molecular Mass: 279.76192
• Monoisotopic Mass: 279.1026065
• SMILES: N1(C(=O)CC2CC2)CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: O=C(N1CCOC(C1)c1ccc(cc1)Cl)CC1CC1
• InChI: InChI=1S/C15H18ClNO2/c16-13-5-3-12(4-6-13)14-10-17(7-8-19-14)15(18)9-11-1-2-11/h3-6,11,14H,1-2,7-10H2
• InChIKey: QKFXGYUWNZQOPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-cyclopropylethan-1-one
• IUPAC Traditional name: 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-cyclopropylethanone
• Synonyms: 2-(4-chlorophenyl)-4-(cyclopropylacetyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5552459
• LogD (pH = 7.4): 2.5552459
• Log P: 2.5552459
• Molar Refractivity: 74.3957 cm^3
• Polarizability: 29.214363 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.23
• LOG S: -4.0
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3