Molecule

ID:56478

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-4-24-18-8-6-5-7-14(18)17-11-16(20(21)23)15-10-12(2)9-13(3)19(15)22-17/h5-11H,4H2,1-3H3
InChIKey
PUOILYKPTGIGAH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c(cc(c2c1c(cc(c2)C)C)C(=O)Cl)c1c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.5808616
LogD (pH = 7.4)
5.5808682
Log P
5.5808682
Molar Refractivity
97.1524
Polarizability
39.5756
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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