Molecule

ID:74762

General Information
Structure
MolImage
Molecular Formula
C₄H₄I₂N₂
Molecular Mass
333.8969
Exact Mass
333.84639414
Charge
0
InChI
InChI=1S/C4H4I2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKey
GPBIXFAUPJOCRS-UHFFFAOYSA-N
Canonic Smiles
Ic1[nH]c(c(n1)C)I
Isomeric Smiles
[nH]1c(c(nc1I)C)I
Calculated Properties
JChem
Acid pKa
10.675524
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2516627
LogD (pH = 7.4)
2.259246
Log P
2.259572
Molar Refractivity
47.4961
Polarizability
20.048279
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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