Molecule

ID:74787

General Information
Structure
MolImage
Molecular Formula
C₃H₃IN₂
Molecular Mass
193.97379
Exact Mass
193.93409611
Charge
0
InChI
InChI=1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey
MHHDMDLNVVCTAJ-UHFFFAOYSA-N
Canonic Smiles
Ic1ncc[nH]1
Isomeric Smiles
[nH]1ccnc1I
Calculated Properties
JChem
Acid pKa
11.238611
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.81840754
LogD (pH = 7.4)
0.9047928
Log P
0.9061004
Molar Refractivity
31.2432
Polarizability
12.693298
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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