Molecule
ID:12149
General Information
Molecular Formula
C₃H₂Cl₃F₃
Molecular Mass
201.4021896
Exact Mass
199.91741776
Charge
0
InChI
InChI=1S/C3H2Cl3F3/c4-1-2(5,6)3(7,8)9/h1H2
InChIKey
OMMADTGFNSRNEJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(F)(F)F)(Cl)Cl
Isomeric Smiles
C(C(C(F)(F)F)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.358608
LogD (pH = 7.4)
3.358608
Log P
3.358608
Molar Refractivity
31.2674
Polarizability
11.886789
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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