Molecule

ID:9557

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₁₃
Molecular Mass
346.0886616
Exact Mass
346.00271696
Charge
0
InChI
InChI=1S/C8H3F13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h2H,1H2
InChIKey
RUVAVKKRUIZRRS-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(C(C(C(C(F)(F)F)(C(F)(F)F)C=C)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0196457
LogD (pH = 7.4)
5.0196457
Log P
5.0196457
Molar Refractivity
41.4075
Polarizability
15.136294
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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