Molecule
ID:50703
General Information
Molecular Formula
C₆H₂Cl₂F₃N
Molecular Mass
215.9879896
Exact Mass
214.95163909
Charge
0
InChI
InChI=1S/C6H2Cl2F3N/c7-4-3(6(9,10)11)1-2-12-5(4)8/h1-2H
InChIKey
ZFCZNQZILNNPBH-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1Cl)C(F)(F)F
Isomeric Smiles
c1(C(F)(F)F)c(c(ncc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.061688
LogD (pH = 7.4)
3.0616884
Log P
3.0616884
Molar Refractivity
40.5457
Polarizability
14.846579
Polar Surface Area
12.89
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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