Molecule
ID:100516
General Information
Molecular Formula
C₅H₅Cl₂F₃
Molecular Mass
192.9944096
Exact Mass
191.97204018
Charge
0
InChI
InChI=1S/C5H5Cl2F3/c1-2-3-4(6,7)5(8,9)10/h2-3H,1H3
InChIKey
FSSVJILSDKUCLP-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C(C(F)(F)F)(Cl)Cl
Isomeric Smiles
FC(C(/C=C/C)(Cl)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8120031
LogD (pH = 7.4)
3.8120031
Log P
3.8120031
Molar Refractivity
36.7603
Polarizability
13.102922
Polar Surface Area
0.0
Rotatable Bonds
2
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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