Molecule
ID:8954
General Information
Molecular Formula
C₃HCl₂F₃
Molecular Mass
164.9412496
Exact Mass
163.94074005
Charge
0
InChI
InChI=1S/C3HCl2F3/c4-1-2(5)3(6,7)8/h1H/b2-1+
InChIKey
ZHJBJVPTRJNNIK-OWOJBTEDSA-N
Canonic Smiles
Cl/C=C(\C(F)(F)F)/Cl
Isomeric Smiles
C(/C(=C\Cl)/Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4118316
LogD (pH = 7.4)
2.4118316
Log P
2.4118316
Molar Refractivity
26.0996
Polarizability
9.656333
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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