Molecule

ID:76880

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₄
Molecular Mass
84.07996
Exact Mass
84.04359615
Charge
0
InChI
InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey
KLSJWNVTNUYHDU-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]cn1
Isomeric Smiles
n1c(nc[nH]1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.56
LogD (pH = 5.5)
-0.56
Log P
-0.56
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.51
Polar Surface Area
67.59
Polarizability
7.45
Molar Refractivity
23.57
LOG S
-0.70
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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