Molecule

ID:58857

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₃N₂O₂
Molecular Mass
192.0954296
Exact Mass
192.01466201
Charge
0
InChI
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-2-1-4(3-10-5)11(12)13/h1-3H
InChIKey
ZTSJYRKGWJZNON-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)C(F)(F)F
Isomeric Smiles
c1(cnc(cc1)C(F)(F)F)[N+](=O)[O-]
Calculated Properties
JChem
Polarizability
12.912956
Polar Surface Area
58.71
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9592564
LogD (pH = 7.4)
1.9592564
Log P
1.9592564
Molar Refractivity
36.8275
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
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References
Bioactivity
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