Molecule

ID:12098

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅F₁₇
Molecular Mass
588.3853544
Exact Mass
588.16848054
Charge
0
InChI
InChI=1S/C20H25F17/c1-2-3-4-5-6-7-8-9-10-11-12-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h2-12H2,1H3
InChIKey
XYGYVZPNAGJLRE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(CCCCCCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.127436
LogD (pH = 7.4)
11.127436
Log P
11.127436
Molar Refractivity
95.4881
Polarizability
35.699234
Polar Surface Area
0.0
Rotatable Bonds
18
Lipinski's Rule of Five
false
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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