Molecule

ID:96024

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₃NO₂
Molecular Mass
217.1446496
Exact Mass
217.0350631
Charge
0
InChI
InChI=1S/C9H6F3NO2/c10-9(11,12)8-4-2-1-3-7(8)5-6-13(14)15/h1-6H
InChIKey
CAXVHMDVSKVTID-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1ccccc1C(F)(F)F
Isomeric Smiles
[N+](=O)(/C=C/c1ccccc1C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0051966
LogD (pH = 7.4)
3.0051966
Log P
3.0051966
Molar Refractivity
48.022
Polarizability
17.03151
Polar Surface Area
45.82
Rotatable Bonds
3
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
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References
Bioactivity
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