Molecule

ID:100347

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₃O₂
Molecular Mass
206.1617696
Exact Mass
206.05546419
Charge
0
InChI
InChI=1S/C9H9F3O2/c1-6-5-7(14-9(10,11)12)3-4-8(6)13-2/h3-5H,1-2H3
InChIKey
UDUQEVKEBPIJJE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)OC(F)(F)F
Isomeric Smiles
O(c1c(cc(cc1)OC(F)(F)F)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7601075
LogD (pH = 7.4)
3.7601075
Log P
3.7601075
Molar Refractivity
40.6327
Polarizability
16.558855
Polar Surface Area
18.46
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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