Molecule
ID:12375
General Information
Molecular Formula
C₇H₃Cl₂FO
Molecular Mass
193.0025232
Exact Mass
191.9544983
Charge
0
InChI
InChI=1S/C7H3Cl2FO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H
InChIKey
PWHFJLCMUCFYRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)C(=O)Cl
Isomeric Smiles
c1c(cc(c(c1)C(=O)Cl)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.910905
LogD (pH = 7.4)
2.910905
Log P
2.910905
Molar Refractivity
42.1939
Polarizability
15.817665
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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