Molecule

ID:97351

General Information
Structure
Molecular Formula
C₈H₂F₁₃I
Molecular Mass
471.9851916
Exact Mass
471.89936492
Charge
0
InChI
InChI=1S/C8H2F13I/c9-4(10,5(11,12)8(19,20)21)3(1-2-22,6(13,14)15)7(16,17)18/h1-2H
InChIKey
WSFZYWPCOFAVSE-UHFFFAOYSA-N
Canonic Smiles
I/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(F)(C(F)(F)C(C(F)(F)F)(C(F)(F)F)/C=C/I)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5850377
LogD (pH = 7.4)
5.5850377
Log P
5.5850377
Molar Refractivity
54.8602
Polarizability
20.6928
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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