Molecule

ID:97353

General Information
Structure
Molecular Formula
C₇H₃F₄NO₂
Molecular Mass
209.0978328
Exact Mass
209.00999122
Charge
0
InChI
InChI=1S/C7H3F4NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChIKey
OBWDPLOCTVOTMA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1F)C(F)(F)F
Isomeric Smiles
FC(c1cc(c(cc1)[N+](=O)[O-])F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9337804
LogD (pH = 7.4)
2.9337804
Log P
2.9337804
Molar Refractivity
39.5728
Polarizability
13.609119
Polar Surface Area
45.82
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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