Molecule

ID:56334

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-12(2)23-14-9-7-13(8-10-14)18-11-16(19(20)22)15-5-3-4-6-17(15)21-18/h3-12H,1-2H3
InChIKey
JBADESBIVRRBMT-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(OC(C)C)cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.9705653
LogD (pH = 7.4)
4.9706
Log P
4.9706006
Molar Refractivity
91.4888
Polarizability
37.88505
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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