Molecule

ID:29980

General Information
Structure
Molecular Formula
C₈H₅F₅
Molecular Mass
196.117316
Exact Mass
196.03114126
Charge
0
InChI
InChI=1S/C8H5F5/c9-6-2-1-5(7(10)3-6)4-8(11,12)13/h1-3H,4H2
InChIKey
VDNQQGMKNJPUTB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)CC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)F)F)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4068012
LogD (pH = 7.4)
3.4068012
Log P
3.4068012
Molar Refractivity
36.9163
Polarizability
13.06552
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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