Molecule

ID:64007

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃IO₂
Molecular Mass
316.0158396
Exact Mass
315.92081203
Charge
0
InChI
InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
InChIKey
XHEOXSQMBWJOKP-UHFFFAOYSA-N
Canonic Smiles
O=C1O[I](c2c1cccc2)C(F)(F)F
Isomeric Smiles
[I]1(C(F)(F)F)c2ccccc2C(=O)O1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
50.9194
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
false
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
References
Bioactivity
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