Molecule

ID:51137

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄
Molecular Mass
120.11206
Exact Mass
120.04359615
Charge
0
InChI
InChI=1S/C5H4N4/c6-3-4-1-2-8-5(7)9-4/h1-2H,(H2,7,8,9)
InChIKey
KOTOJHBUFJPGEG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccnc(n1)N
Isomeric Smiles
c1(nc(C#N)ccn1)N
Calculated Properties
JChem
Acid pKa
16.068775
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1415412
LogD (pH = 7.4)
0.14154203
Log P
0.14154203
Molar Refractivity
32.7183
Polarizability
11.547259
Polar Surface Area
75.59
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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