Molecule

ID:8907

General Information
Structure
Molecular Formula
C₆F₁₂I₂
Molecular Mass
553.8539784
Exact Mass
553.78978464
Charge
0
InChI
InChI=1S/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20
InChIKey
JOQDDLBOAIKFQX-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(I)(F)F)(F)F)(C(C(C(I)(F)F)(F)F)(F)F)F
Isomeric Smiles
IC(C(C(C(C(C(I)(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)
5.6774
LogD (pH = 7.4)
5.6774
Log P
5.6774
Molar Refractivity
57.4906
Polarizability
23.202372
Polar Surface Area
0.0
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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