Molecule

ID:58592

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃
Molecular Mass
107.1133
Exact Mass
107.04834718
Charge
0
InChI
InChI=1S/C5H5N3/c1-8-3-2-5(4-6)7-8/h2-3H,1H3
InChIKey
UOQLZFAAFSUXFE-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)C#N
Isomeric Smiles
n1c(ccn1C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6430511
LogD (pH = 7.4)
0.6430524
Log P
0.6430524
Molar Refractivity
40.311
Polarizability
10.748952
Polar Surface Area
41.61
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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