9-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

• ChemBase ID: 666583
• Molecular Formular: C19H24ClNO3
• Molecular Mass: 349.85176
• Monoisotopic Mass: 349.14447131
• SMILES: C1(C(=O)N2CCC3(CC2)OCCCC3O)(CC1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CC1)OCCCC2O
• InChI: InChI=1S/C19H24ClNO3/c20-15-5-3-14(4-6-15)18(7-8-18)17(23)21-11-9-19(10-12-21)16(22)2-1-13-24-19/h3-6,16,22H,1-2,7-13H2
• InChIKey: GWOXJMLLEFHAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
• IUPAC Traditional name: 9-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
• Synonyms: 9-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986242
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1511402
• LogD (pH = 7.4): 2.1511402
• Log P: 2.1511402
• Molar Refractivity: 92.9279 cm^3
• Polarizability: 36.484245 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.48
• LOG S: -3.87
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2