Molecule
ID:52992
General Information
Molecular Formula
C₇H₃Cl₂FO
Molecular Mass
193.0025232
Exact Mass
191.9544983
Charge
0
InChI
InChI=1S/C7H3Cl2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey
KDTLZLPZFUJFRU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)cc(cc1Cl)Cl
Isomeric Smiles
c1(cc(cc(c1C=O)Cl)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0365396
LogD (pH = 7.4)
3.0365396
Log P
3.0365396
Molar Refractivity
42.468
Polarizability
15.849752
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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