Molecule

ID:33819

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃
Molecular Mass
107.1133
Exact Mass
107.04834718
Charge
0
InChI
InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2
InChIKey
ZPGCVVBPGQJSPX-UHFFFAOYSA-N
Canonic Smiles
N#CCn1cncc1
Isomeric Smiles
n1cn(cc1)CC#N
Calculated Properties
JChem
Acid pKa
11.995773
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.902653
LogD (pH = 7.4)
-0.43936613
Log P
-0.38561597
Molar Refractivity
28.9734
Polarizability
10.680536
Polar Surface Area
41.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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