Molecule

ID:101573

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClFO₂
Molecular Mass
238.6421232
Exact Mass
238.0196854
Charge
0
InChI
InChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)8-2-3-10(14)9(13)6-8/h2-6H,1H3
InChIKey
IMBPCIDPUAANCP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(o1)c1ccc(c(c1)Cl)F
Isomeric Smiles
o1c(ccc1C(=O)C)c1cc(c(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
14.490101
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.905113
LogD (pH = 7.4)
2.905113
Log P
2.905113
Molar Refractivity
58.8866
Polarizability
23.456705
Polar Surface Area
30.21
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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