Molecule

ID:7598

General Information
Structure
Molecular Formula
C₁₀H₆F₆O₂
Molecular Mass
272.1438592
Exact Mass
272.02719875
Charge
0
InChI
InChI=1S/C10H6F6O2/c1-18-8(17)5-2-6(9(11,12)13)4-7(3-5)10(14,15)16/h2-4H,1H3
InChIKey
LTYNBDAJUXZFHP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c(cc(cc1C(=O)OC)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7324197
LogD (pH = 7.4)
3.7324197
Log P
3.7324197
Molar Refractivity
50.0307
Polarizability
17.704355
Polar Surface Area
26.3
Rotatable Bonds
4
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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