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

• ChemBase ID: 856221
• Molecular Formular: C14H12ClNO2S
• Molecular Mass: 293.76858
• Monoisotopic Mass: 293.02772731
• SMILES: N1(C(=O)c2sccc2)CC(C1)Oc1c(Cl)cccc1
• Canonical SMILES: O=C(c1cccs1)N1CC(C1)Oc1ccccc1Cl
• InChI: InChI=1S/C14H12ClNO2S/c15-11-4-1-2-5-12(11)18-10-8-16(9-10)14(17)13-6-3-7-19-13/h1-7,10H,8-9H2
• InChIKey: PFJUEPAVPXHCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenoxy)-1-(thiophene-2-carbonyl)azetidine
• IUPAC Traditional name: 3-(2-chlorophenoxy)-1-(thiophene-2-carbonyl)azetidine
• Synonyms: 3-(2-chlorophenoxy)-1-(2-thienylcarbonyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.320456
• LogD (pH = 7.4): 3.320456
• Log P: 3.320456
• Molar Refractivity: 74.8779 cm^3
• Polarizability: 28.830275 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: 2.58
• LOG S: -3.55
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3