Molecule

ID:102910

General Information
Structure
MolImage
Molecular Formula
C₅H₂N₄Na₂O
Molecular Mass
180.07512
Exact Mass
180.00239927
Charge
0
InChI
InChI=1S/C5H3N4O.2Na/c10-5-3-4(7-1-6-3)8-2-9-5;;/h1-2H,(H-,6,7,8,9,10);;/q-1;2*+1/p-1
InChIKey
JPOVYURXCDZDIC-UHFFFAOYSA-M
Canonic Smiles
[Na]n1cnc2c1c([O-])ncn2.[Na+]
Isomeric Smiles
[Na+].[O-]c1ncnc2c1n([Na])cn2
Calculated Properties
JChem
Acid pKa
12.995617
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.7121052
LogD (pH = 7.4)
-1.7109154
Log P
-1.7109
Molar Refractivity
46.661
Polarizability
14.253076
Polar Surface Area
66.66
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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