Molecule

ID:12660

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₄O
Molecular Mass
100.07936
Exact Mass
100.03851077
Charge
0
InChI
InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)
InChIKey
JHJVSUCUNFXIHN-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1N
Isomeric Smiles
c1(c(non1)N)N
Calculated Properties
JChem
Acid pKa
13.133281
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.90684587
LogD (pH = 7.4)
-0.9068465
Log P
-0.90684575
Molar Refractivity
26.4564
Polarizability
7.9137187
Polar Surface Area
90.96
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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