Molecule

ID:42833

General Information
Structure
Molecular Formula
C₁₃H₈ClFO
Molecular Mass
234.6534232
Exact Mass
234.02477078
Charge
0
InChI
InChI=1S/C13H8ClFO/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h1-8H
InChIKey
KWNKSAXMTKXQHL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccc(c(c1)F)Cl
Isomeric Smiles
c1(c2c(C=O)cccc2)cc(c(cc1)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.07972
LogD (pH = 7.4)
4.07972
Log P
4.07972
Molar Refractivity
62.7994
Polarizability
24.705961
Polar Surface Area
17.07
Rotatable Bonds
2
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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