Molecule
ID:85133
General Information
Molecular Formula
C₂₃H₁₅ClN₂O₃
Molecular Mass
402.8298
Exact Mass
402.07712003
Charge
0
InChI
InChI=1S/C23H15ClN2O3/c24-20(16-10-4-1-5-11-16)19-21(27)25(17-12-6-2-7-13-17)23(29)26(22(19)28)18-14-8-3-9-15-18/h1-15H
InChIKey
OKDLUFIBIISKAV-UHFFFAOYSA-N
Canonic Smiles
Cl/C(=C/1\C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1)/c1ccccc1
Isomeric Smiles
N1(c2ccccc2)C(=O)N(c2ccccc2)C(=O)/C(=C(/c2ccccc2)\Cl)/C1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7007356
LogD (pH = 7.4)
4.7007356
Log P
4.7007356
Molar Refractivity
110.186
Polarizability
42.105465
Polar Surface Area
57.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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