Molecule

ID:56445

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-3-11-24-18-10-5-4-8-15(18)17-12-16(20(21)23)14-9-6-7-13(2)19(14)22-17/h4-10,12H,3,11H2,1-2H3
InChIKey
WALCIMBAJXTFGJ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c(cc(c2c1c(ccc2)C)C(=O)Cl)c1c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.589964
LogD (pH = 7.4)
5.589969
Log P
5.589969
Molar Refractivity
96.6352
Polarizability
39.657806
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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