Molecule

ID:56477

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-4-24-15-7-5-6-14(10-15)18-11-17(20(21)23)16-9-12(2)8-13(3)19(16)22-18/h5-11H,4H2,1-3H3
InChIKey
TUDVMSWHWJSYNZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1cc(OCC)ccc1)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.580839
LogD (pH = 7.4)
5.580868
Log P
5.5808682
Molar Refractivity
97.1524
Polarizability
39.57181
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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