Molecule

ID:97534

General Information
Structure
Molecular Formula
C₁₀H₆F₈O₂
Molecular Mass
310.1406656
Exact Mass
310.02400519
Charge
0
InChI
InChI=1S/C10H6F8O2/c11-7(12)9(15,16)19-5-3-1-2-4-6(5)20-10(17,18)8(13)14/h1-4,7-8H
InChIKey
TYMCPUUDTMKLGP-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccccc1OC(C(F)F)(F)F)(F)F)F
Isomeric Smiles
O(c1ccccc1OC(F)(F)C(F)F)C(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.50957
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2868524
LogD (pH = 7.4)
4.2868524
Log P
4.2868524
Molar Refractivity
49.2354
Polarizability
18.355461
Polar Surface Area
18.46
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
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Molecule Details
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References
Bioactivity
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