Molecule

ID:56473

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-11-8-12(2)18-15(9-11)16(19(20)22)10-17(21-18)13-4-6-14(23-3)7-5-13/h4-10H,1-3H3
InChIKey
AMOHQACFYBDXOI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)OC)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.224015
LogD (pH = 7.4)
5.2240596
Log P
5.22406
Molar Refractivity
92.4038
Polarizability
37.72227
Polar Surface Area
39.19
Rotatable Bonds
3
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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