Molecule

ID:22293

General Information
Structure
Molecular Formula
C₃H₅N₃
Molecular Mass
83.0919
Exact Mass
83.04834718
Charge
0
InChI
InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)
InChIKey
AXINVSXSGNSVLV-UHFFFAOYSA-N
Canonic Smiles
Nc1c[nH]nc1
Isomeric Smiles
[nH]1ncc(c1)N
Calculated Properties
JChem
Acid pKa
17.75341
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5515532
LogD (pH = 7.4)
-0.55149686
Log P
-0.55149615
Molar Refractivity
24.4458
Polarizability
8.288798
Polar Surface Area
54.7
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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