Molecule

ID:97595

General Information
Structure
Molecular Formula
C₆H₃F₉
Molecular Mass
246.0736488
Exact Mass
246.00910408
Charge
0
InChI
InChI=1S/C6H3F9/c1-2-3(7,5(10,11)12)4(8,9)6(13,14)15/h2H,1H2
InChIKey
GBZVNPLYXNEEFL-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(C(F)(F)C(C(F)(F)F)(F)C=C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6981356
LogD (pH = 7.4)
3.6981356
Log P
3.6981356
Molar Refractivity
30.8599
Polarizability
11.314912
Polar Surface Area
0.0
Rotatable Bonds
4
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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