Molecule

ID:8254

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₃NO₂
Molecular Mass
177.0807896
Exact Mass
177.00376297
Charge
0
InChI
InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChIKey
PWRFDGYYJWQIAB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)cc(c1[N+](=O)[O-])F
Isomeric Smiles
c1c(cc(c(c1F)[N+](=O)[O-])F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3413358
LogD (pH = 7.4)
2.3413358
Log P
2.3413358
Molar Refractivity
33.0277
Polarizability
11.813338
Polar Surface Area
43.14
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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