Molecule
ID:74821
General Information
Molecular Formula
C₃HI₃N₂
Molecular Mass
445.76685
Exact Mass
445.72739204
Charge
0
InChI
InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKey
HIDCNJIBRZBEPN-UHFFFAOYSA-N
Canonic Smiles
Ic1[nH]c(c(n1)I)I
Isomeric Smiles
[nH]1c(c(nc1I)I)I
Calculated Properties
JChem
Acid pKa
7.7142696
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2354782
LogD (pH = 7.4)
3.0696037
Log P
3.2381947
Molar Refractivity
55.9752
Polarizability
24.104168
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
No Data Available
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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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