Molecule

ID:93643

General Information
Structure
Molecular Formula
C₇H₃F₃INO₃
Molecular Mass
333.0032996
Exact Mass
332.91097562
Charge
0
InChI
InChI=1S/C7H3F3INO3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H
InChIKey
LSFHKVCNLXPINN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1I)OC(F)(F)F
Isomeric Smiles
Ic1c(cc(cc1)OC(F)(F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.273286
LogD (pH = 7.4)
4.273286
Log P
4.273286
Molar Refractivity
49.8155
Polarizability
20.090181
Polar Surface Area
55.05
Rotatable Bonds
3
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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