Molecule
ID:88786
General Information
Molecular Formula
C₃H₂I₂N₂
Molecular Mass
319.87032
Exact Mass
319.83074407
Charge
0
InChI
InChI=1S/C3H2I2N2/c4-2-1-6-3(5)7-2/h1H,(H,6,7)
InChIKey
VZSKMIVGFKARLQ-UHFFFAOYSA-N
Canonic Smiles
Ic1[nH]cc(n1)I
Isomeric Smiles
[nH]1c(nc(c1)I)I
Calculated Properties
JChem
Acid pKa
9.861684
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8665546
LogD (pH = 7.4)
1.8661774
Log P
1.8676325
Molar Refractivity
44.3138
Polarizability
18.382902
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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