3-(2-chlorophenoxy)-1-(furan-2-carbonyl)azetidine

• ChemBase ID: 492595
• Molecular Formular: C14H12ClNO3
• Molecular Mass: 277.70298
• Monoisotopic Mass: 277.05057093
• SMILES: N1(C(=O)c2occc2)CC(C1)Oc1c(Cl)cccc1
• Canonical SMILES: O=C(c1ccco1)N1CC(C1)Oc1ccccc1Cl
• InChI: InChI=1S/C14H12ClNO3/c15-11-4-1-2-5-12(11)19-10-8-16(9-10)14(17)13-6-3-7-18-13/h1-7,10H,8-9H2
• InChIKey: MHEQSEWCGXBKSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenoxy)-1-(furan-2-carbonyl)azetidine
• IUPAC Traditional name: 3-(2-chlorophenoxy)-1-(furan-2-carbonyl)azetidine
• Synonyms: 3-(2-chlorophenoxy)-1-(2-furoyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4678214
• LogD (pH = 7.4): 2.4678214
• Log P: 2.4678214
• Molar Refractivity: 70.3789 cm^3
• Polarizability: 27.044027 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.24
• LOG S: -3.14
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3