Molecule

ID:58274

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₄
Molecular Mass
84.07996
Exact Mass
84.04359615
Charge
0
InChI
InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey
XZGLNCKSNVGDNX-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]nn1
Isomeric Smiles
n1nc(n[nH]1)C
Calculated Properties
JChem
Acid pKa
5.1914506
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1089622
LogD (pH = 7.4)
-2.164356
Log P
-0.6478996
Molar Refractivity
22.7593
Polarizability
7.254102
Polar Surface Area
54.46
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
References
Bioactivity
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