7-(2-chlorobenzoyl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 338781
• Molecular Formular: C15H18ClNO2
• Molecular Mass: 279.76192
• Monoisotopic Mass: 279.1026065
• SMILES: C(=O)(N1CC2(COCC2)CCC1)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1C(=O)N1CCCC2(C1)COCC2
• InChI: InChI=1S/C15H18ClNO2/c16-13-5-2-1-4-12(13)14(18)17-8-3-6-15(10-17)7-9-19-11-15/h1-2,4-5H,3,6-11H2
• InChIKey: SDJZNQFQTGIRSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-chlorobenzoyl)-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-chlorobenzoyl)-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-(2-chlorobenzoyl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.357445
• LogD (pH = 7.4): 2.3574452
• Log P: 2.3574452
• Molar Refractivity: 75.5406 cm^3
• Polarizability: 29.025526 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.03
• LOG S: -3.57
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1