Molecule

ID:13708

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂F₃N
Molecular Mass
215.9879896
Exact Mass
214.95163909
Charge
0
InChI
InChI=1S/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
InChIKey
UPWAAFFFSGQECJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(nc1Cl)Cl)(F)F
Isomeric Smiles
c1c(nc(c(c1)C(F)(F)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2818656
LogD (pH = 7.4)
3.2818656
Log P
3.2818656
Molar Refractivity
41.607
Polarizability
14.864186
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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