Molecule

ID:64166

General Information
Structure
Molecular Formula
C₃H₃IN₂
Molecular Mass
193.97379
Exact Mass
193.93409611
Charge
0
InChI
InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
BHCMXJKPZOPRNN-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc[nH]1
Isomeric Smiles
[nH]1c(cnc1)I
Calculated Properties
JChem
Acid pKa
12.022129
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7180039
LogD (pH = 7.4)
0.8148351
Log P
0.8163079
Molar Refractivity
32.0834
Polarizability
12.633996
Polar Surface Area
28.68
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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