Molecule

ID:88771

General Information
Structure
MolImage
Molecular Formula
C₄H₄IN₃
Molecular Mass
220.99913
Exact Mass
220.94499514
Charge
0
InChI
InChI=1S/C4H4IN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey
HAFKCGZQRIIADX-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(nc1)N
Isomeric Smiles
n1c(ncc(c1)I)N
Calculated Properties
JChem
Acid pKa
16.479177
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8279734
LogD (pH = 7.4)
0.8285329
Log P
0.82854
Molar Refractivity
40.7312
Polarizability
15.082833
Polar Surface Area
51.8
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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