Molecule
ID:32116
General Information
Molecular Formula
C₈H₅F₅
Molecular Mass
196.117316
Exact Mass
196.03114126
Charge
0
InChI
InChI=1S/C8H5F5/c1-8(12,13)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChIKey
LHKFHBOJYINWMF-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)cc(cc1F)C(F)(F)C
Isomeric Smiles
FC(F)(C)c1cc(c(F)c(c1)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0385025
LogD (pH = 7.4)
3.0385025
Log P
3.0385025
Molar Refractivity
36.813
Polarizability
13.083609
Polar Surface Area
0.0
Rotatable Bonds
1
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
No Data Available
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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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