Molecule

ID:69704

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄
Molecular Mass
120.11206
Exact Mass
120.04359615
Charge
0
InChI
InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey
KDCGOANMDULRCW-UHFFFAOYSA-N
Canonic Smiles
c1ncc2c(n1)nc[nH]2
Isomeric Smiles
[nH]1cnc2ncncc12
Calculated Properties
JChem
LogD (pH = 7.4)
-0.30
LogD (pH = 5.5)
-0.30
Log P
-0.30
Rotatable Bonds
0
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.68
Polar Surface Area
54.46
Polarizability
10.92
Molar Refractivity
31.59
LOG S
-1.34
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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