Molecule

ID:87588

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]n1cnc(=O)c2c1ncn2[Na]
Isomeric Smiles
n1cn(c2c(c1=O)n(cn2)[Na])[Na]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.7890103
LogD (pH = 7.4)
-3.7885065
Log P
-3.7885
Molar Refractivity
44.2566
Polarizability
15.456103
Polar Surface Area
50.49
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
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References
Bioactivity
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