Molecule

ID:56328

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₂
Molecular Mass
311.76226
Exact Mass
311.07130637
Charge
0
InChI
InChI=1S/C18H14ClNO2/c1-2-22-13-9-7-12(8-10-13)17-11-15(18(19)21)14-5-3-4-6-16(14)20-17/h3-11H,2H2,1H3
InChIKey
HYHIOYVFORYNLR-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.5539904
LogD (pH = 7.4)
4.554025
Log P
4.554025
Molar Refractivity
87.07
Polarizability
36.038742
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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