Molecule

ID:32121

General Information
Structure
Molecular Formula
C₁₅H₈F₈
Molecular Mass
340.2112456
Exact Mass
340.04982602
Charge
0
InChI
InChI=1S/C15H8F8/c16-13(17,9-4-2-1-3-5-9)10-6-11(14(18,19)20)8-12(7-10)15(21,22)23/h1-8H
InChIKey
MYJHPWRDPBQEMC-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1ccccc1)F
Isomeric Smiles
FC(F)(c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.076811
LogD (pH = 7.4)
6.076811
Log P
6.076811
Molar Refractivity
67.8096
Polarizability
23.93784
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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