Molecule
ID:100458
General Information
Molecular Formula
C₆H₃F₃IN
Molecular Mass
272.9943996
Exact Mass
272.92623176
Charge
0
InChI
InChI=1S/C6H3F3IN/c7-6(8,9)5-4(10)2-1-3-11-5/h1-3H
InChIKey
AXIRKFLGSOEBGV-UHFFFAOYSA-N
Canonic Smiles
Ic1cccnc1C(F)(F)F
Isomeric Smiles
n1c(c(ccc1)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9482157
LogD (pH = 7.4)
2.9482167
Log P
2.9482167
Molar Refractivity
42.8653
Polarizability
16.339062
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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