Molecule

ID:56333

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-2-10-23-14-7-5-6-13(11-14)18-12-16(19(20)22)15-8-3-4-9-17(15)21-18/h3-9,11-12H,2,10H2,1H3
InChIKey
UDRPBQSJNXJZBH-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(OCCC)ccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.076525
LogD (pH = 7.4)
5.0765476
Log P
5.0765476
Molar Refractivity
91.594
Polarizability
37.888493
Polar Surface Area
39.19
Rotatable Bonds
5
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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