Molecule

ID:93826

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₃IO
Molecular Mass
302.0323196
Exact Mass
301.94154747
Charge
0
InChI
InChI=1S/C8H6F3IO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,1H3
InChIKey
YLCOLVIMVHKUKE-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1C)OC(F)(F)F
Isomeric Smiles
Ic1c(cc(cc1)OC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.846723
LogD (pH = 7.4)
4.846723
Log P
4.846723
Molar Refractivity
47.532
Polarizability
19.551346
Polar Surface Area
9.23
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
References
Bioactivity
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