9-(3-chlorophenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205878
• Molecular Formular: C18H14ClNO3
• Molecular Mass: 327.76166
• Monoisotopic Mass: 327.06622099
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)N1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C18H14ClNO3/c1-11-7-17(21)23-18-14(11)5-6-16-15(18)9-20(10-22-16)13-4-2-3-12(19)8-13/h2-8H,9-10H2,1H3
• InChIKey: DTLNCFBOJHENOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-chlorophenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(3-chlorophenyl)-4-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261788
• PubChem CID: 1775230

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3002205
• LogD (pH = 7.4): 4.3002205
• Log P: 4.3002205
• Molar Refractivity: 88.9803 cm^3
• Polarizability: 33.77081 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds