Molecule

ID:44396

General Information
Structure
MolImage
Molecular Formula
C₄H₂I₂N₂
Molecular Mass
331.88102
Exact Mass
331.83074407
Charge
0
InChI
InChI=1S/C4H2I2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey
GCLHXKPPHRIJOE-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(nn1)I
Isomeric Smiles
n1nc(I)ccc1I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6988677
LogD (pH = 7.4)
1.6988677
Log P
1.6988677
Molar Refractivity
49.9056
Polarizability
19.650047
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
References
Bioactivity
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