Molecule

ID:16319

General Information
Structure
Molecular Formula
C₁₂H₁₀F₆O₂
Molecular Mass
300.1970192
Exact Mass
300.05849888
Charge
0
InChI
InChI=1S/C12H10F6O2/c1-2-20-10(19)5-7-3-8(11(13,14)15)6-9(4-7)12(16,17)18/h3-4,6H,2,5H2,1H3
InChIKey
ICTVPOAERFKXSS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=O)(OCC)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.869393
LogD (pH = 7.4)
3.869393
Log P
3.869393
Molar Refractivity
58.8307
Polarizability
21.214787
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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