Molecule
ID:58531
General Information
Molecular Formula
C₂HI₂N₃
Molecular Mass
320.85838
Exact Mass
320.82599305
Charge
0
InChI
InChI=1S/C2HI2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)
InChIKey
BIEAMRHKHMPDPL-UHFFFAOYSA-N
Canonic Smiles
Ic1[nH]nnc1I
Isomeric Smiles
[nH]1nnc(c1I)I
Calculated Properties
JChem
Acid pKa
6.1543355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8706975
LogD (pH = 7.4)
0.7280573
Log P
1.9571084
Molar Refractivity
42.8344
Polarizability
17.636112
Polar Surface Area
41.57
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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