Molecule

ID:56437

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-3-11-24-15-9-7-14(8-10-15)18-12-17(20(21)23)16-6-4-5-13(2)19(16)22-18/h4-10,12H,3,11H2,1-2H3
InChIKey
GTYMEVYTEKXDKH-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)OCCC)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.5899353
LogD (pH = 7.4)
5.5899687
Log P
5.589969
Molar Refractivity
96.6352
Polarizability
39.650696
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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