Molecule

ID:66205

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂F₃N
Molecular Mass
215.9879896
Exact Mass
214.95163909
Charge
0
InChI
InChI=1S/C6H2Cl2F3N/c7-4-2(6(10)11)1-3(9)5(8)12-4/h1,6H
InChIKey
QVEUGAUQNBOLML-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(F)c(nc1Cl)Cl)F
Isomeric Smiles
c1(c(cc(c(n1)Cl)F)C(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.935807
LogD (pH = 7.4)
2.935807
Log P
2.935807
Molar Refractivity
40.9337
Polarizability
14.849928
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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