Molecule

ID:8908

General Information
Structure
Molecular Formula
C₈F₁₆I₂
Molecular Mass
653.8689912
Exact Mass
653.78339752
Charge
0
InChI
InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
InChIKey
SRDQTCUHAMDAMG-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(I)(F)F)(F)F)(F)F)(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(I)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.3464
LogD (pH = 7.4)
7.3464
Log P
7.3464
Molar Refractivity
66.8266
Polarizability
27.019377
Polar Surface Area
0.0
Rotatable Bonds
7
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
References
Bioactivity
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