Molecule

ID:77226

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃
Molecular Mass
107.1133
Exact Mass
107.04834718
Charge
0
InChI
InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3
InChIKey
LAKVILSENFFPRR-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(nc1)C#N
Isomeric Smiles
n1cn(cc1C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.32038352
LogD (pH = 7.4)
0.32039818
Log P
0.32039836
Molar Refractivity
29.2591
Polarizability
10.754667
Polar Surface Area
41.61
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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