Molecule

ID:68207

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₃N₂O₂
Molecular Mass
226.5404896
Exact Mass
225.97568965
Charge
0
InChI
InChI=1S/C6H2ClF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H
InChIKey
DRPIKFKCAJGTJF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(cnc1Cl)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)C(F)(F)F)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3976278
LogD (pH = 7.4)
2.3976278
Log P
2.3976278
Molar Refractivity
42.0614
Polarizability
15.0099325
Polar Surface Area
56.03
Rotatable Bonds
2
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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