Molecule

ID:99258

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉F₃IP
Molecular Mass
486.2490006
Exact Mass
486.0221199
Charge
0
InChI
InChI=1S/C21H19F3P.HI/c22-21(23,24)16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1
InChIKey
OILVALOYRFDGPW-UHFFFAOYSA-M
Canonic Smiles
FC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F.[I-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC(F)(F)F.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.932398
LogD (pH = 7.4)
5.932398
Log P
5.932398
Molar Refractivity
97.1231
Polarizability
37.064064
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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