Molecule

ID:97593

General Information
Structure
Molecular Formula
C₁₀H₁₂F₉I
Molecular Mass
430.0923788
Exact Mass
429.98400236
Charge
0
InChI
InChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,9(14,15)16)8(12,13)10(17,18)19/h6H,2-5H2,1H3
InChIKey
YOEXYNDIPQDOLJ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F)I
Isomeric Smiles
FC(C(C(C(F)(F)F)(F)CC(CCCC)I)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.031565
LogD (pH = 7.4)
6.031565
Log P
6.031565
Molar Refractivity
62.3321
Polarizability
23.760746
Polar Surface Area
0.0
Rotatable Bonds
8
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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