Molecule
ID:10401
General Information
Molecular Formula
C₃HCl₂F₃
Molecular Mass
164.9412496
Exact Mass
163.94074005
Charge
0
InChI
InChI=1S/C3HCl2F3/c4-2(5)1-3(6,7)8/h1H
InChIKey
ISCYUDAHBJMFNT-UHFFFAOYSA-N
Canonic Smiles
ClC(=CC(F)(F)F)Cl
Isomeric Smiles
C(=CC(F)(F)F)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6121993
LogD (pH = 7.4)
2.6121993
Log P
2.6121993
Molar Refractivity
36.9814
Polarizability
9.661684
Polar Surface Area
0.0
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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