Molecule

ID:98757

General Information
Structure
Molecular Formula
C₁₆H₁₉F₁₃
Molecular Mass
458.3013016
Exact Mass
458.12791747
Charge
0
InChI
InChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3
InChIKey
UFXJXRIUXCGTRG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(/C=C/CCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.8597
LogD (pH = 7.4)
8.8597
Log P
8.8597
Molar Refractivity
77.8023
Polarizability
28.39588
Polar Surface Area
0.0
Rotatable Bonds
13
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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