Molecule
ID:97900
General Information
Molecular Formula
C₈H₆F₄O₂
Molecular Mass
210.1256528
Exact Mass
210.03039231
Charge
0
InChI
InChI=1S/C8H6F4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
InChIKey
WQXKGOOORHDGFP-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)c(F)c(c(c1F)F)OC
Isomeric Smiles
O(c1c(c(c(c(c1F)F)OC)F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2287111
LogD (pH = 7.4)
2.2287111
Log P
2.2287111
Molar Refractivity
39.85
Polarizability
14.6750555
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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