Molecule

ID:6655

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClFO
Molecular Mass
186.6106232
Exact Mass
186.02477078
Charge
0
InChI
InChI=1S/C9H8ClFO/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4H,1-2H3
InChIKey
NOYPJFRXHUSDQL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(C)c(cc1F)Cl
Isomeric Smiles
c1(c(cc(c(c1)C)Cl)F)C(=O)C
Calculated Properties
JChem
Acid pKa
15.278527
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7910614
LogD (pH = 7.4)
2.7910614
Log P
2.7910614
Molar Refractivity
46.5232
Polarizability
17.423574
Polar Surface Area
17.07
Rotatable Bonds
1
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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