Molecule

ID:52858

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃
Molecular Mass
93.08672
Exact Mass
93.03269711
Charge
0
InChI
InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)
InChIKey
NWVGXXPWOYZODV-UHFFFAOYSA-N
Canonic Smiles
c1c(nc[nH]1)C#N
Isomeric Smiles
c1nc(c[nH]1)C#N
Calculated Properties
JChem
Acid pKa
11.379656
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.096700825
LogD (pH = 7.4)
0.096677944
Log P
0.096722305
Molar Refractivity
24.3624
Polarizability
9.001404
Polar Surface Area
52.47
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
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References
Bioactivity
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