Molecule

ID:98758

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₁₃
Molecular Mass
348.1045416
Exact Mass
348.01836702
Charge
0
InChI
InChI=1S/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H2,1H3
InChIKey
SKRWRXWNQFQGRU-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(F)F)(F)C(C(F)(F)C(C(CC)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2804637
LogD (pH = 7.4)
5.2804637
Log P
5.2804637
Molar Refractivity
40.1421
Polarizability
15.379557
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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