Molecule

ID:56401

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-3-23-18-7-5-4-6-13(18)17-11-15(19(20)22)14-10-12(2)8-9-16(14)21-17/h4-11H,3H2,1-2H3
InChIKey
XGQCIMZUPGYQAA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(nc2c(c(c1)C(=O)Cl)cc(cc2)C)c1c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.06744
LogD (pH = 7.4)
5.0674467
Log P
5.0674467
Molar Refractivity
92.1112
Polarizability
37.81006
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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