Molecule

ID:83320

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈I₂S₂
Molecular Mass
470.13086
Exact Mass
469.81568826
Charge
0
InChI
InChI=1S/C12H8I2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H
InChIKey
XKXXKCBAWRUHRG-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1SSc1ccccc1I
Isomeric Smiles
S(c1c(cccc1)I)Sc1c(cccc1)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.431634
LogD (pH = 7.4)
6.431634
Log P
6.431634
Molar Refractivity
89.1852
Polarizability
36.29716
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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