Molecule

ID:56434

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-3-23-14-9-7-13(8-10-14)17-11-16(19(20)22)15-6-4-5-12(2)18(15)21-17/h4-11H,3H2,1-2H3
InChIKey
VVPKEYVAKSEHRS-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)OCC)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.067413
LogD (pH = 7.4)
5.067446
Log P
5.0674467
Molar Refractivity
92.1112
Polarizability
37.80427
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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