Molecule

ID:65645

General Information
Structure
MolImage
Molecular Formula
C₅H₄I₂N₂
Molecular Mass
345.9076
Exact Mass
345.84639414
Charge
0
InChI
InChI=1S/C5H4I2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey
QLJWHQFRDOOATP-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(c(c1)I)N
Isomeric Smiles
c1(cnc(c(c1)I)N)I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3745508
LogD (pH = 7.4)
2.3789377
Log P
2.378994
Molar Refractivity
55.64
Polarizability
21.402746
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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