Molecule

ID:95632

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₃N₂O₂
Molecular Mass
216.1168296
Exact Mass
216.01466201
Charge
0
InChI
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
InChIKey
FHFVTHPGDCWXTD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
FC(c1cc(c(cc1)[N+](=O)[O-])C#N)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6471746
LogD (pH = 7.4)
2.6471746
Log P
2.6471746
Molar Refractivity
45.078
Polarizability
15.513864
Polar Surface Area
69.61
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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