Molecule
ID:84830
General Information
Molecular Formula
C₁₈H₁₄ClNO₂
Molecular Mass
311.76226
Exact Mass
311.07130637
Charge
0
InChI
InChI=1S/C18H14ClNO2/c1-2-22-18(21)13-8-9-16-14(10-13)15(19)11-17(20-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
KOGXNXXHPDLPST-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)c(Cl)cc(n2)c1ccccc1
Isomeric Smiles
n1c2c(c(cc1c1ccccc1)Cl)cc(cc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.127967
LogD (pH = 7.4)
5.1283016
Log P
5.128306
Molar Refractivity
86.3222
Polarizability
36.078003
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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