Molecule

ID:100821

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₃INO₂
Molecular Mass
317.0038996
Exact Mass
316.916061
Charge
0
InChI
InChI=1S/C7H3F3INO2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H
InChIKey
RVEQXLQKLMGPHL-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Isomeric Smiles
FC(c1c(ccc(c1)I)[N+](=O)[O-])(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.720023
LogD (pH = 7.4)
3.720023
Log P
3.720023
Molar Refractivity
52.7189
Polarizability
19.258724
Polar Surface Area
45.82
Rotatable Bonds
2
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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