Molecule

ID:63572

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃
Molecular Mass
107.1133
Exact Mass
107.04834718
Charge
0
InChI
InChI=1S/C5H5N3/c1-8-3-2-7-5(8)4-6/h2-3H,1H3
InChIKey
VUHMRVLSRIYKKU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nccn1C
Isomeric Smiles
n1(C)ccnc1C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.31208375
LogD (pH = 7.4)
0.3120928
Log P
0.31209293
Molar Refractivity
29.1083
Polarizability
10.757386
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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