Molecule

ID:9212

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO₃
Molecular Mass
207.1067696
Exact Mass
207.01432765
Charge
0
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H
InChIKey
QBWJNDOQIAARBT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)OC(F)(F)F
Isomeric Smiles
c1cc(cc(c1)[N+](=O)[O-])OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3443415
LogD (pH = 7.4)
3.3443415
Log P
3.3443415
Molar Refractivity
36.453
Polarizability
14.454102
Polar Surface Area
55.05
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
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Molecule Details
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References
Bioactivity
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