Molecule

ID:56400

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-3-23-14-6-4-5-13(10-14)18-11-16(19(20)22)15-9-12(2)7-8-17(15)21-18/h4-11H,3H2,1-2H3
InChIKey
SWGAVXDZPBFWPS-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(c2c(nc(c1)c1cc(OCC)ccc1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.0674176
LogD (pH = 7.4)
5.067446
Log P
5.0674467
Molar Refractivity
92.1112
Polarizability
37.80627
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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