Molecule

ID:93015

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₄NaO₂
Molecular Mass
164.09787
Exact Mass
164.0310197
Charge
0
InChI
InChI=1S/C4H6N4O2.Na/c1-2-10-4(9)3-5-7-8-6-3;/h2H2,1H3,(H,5,6,7,8,9);/q;+1/p-1
InChIKey
VQNJMUUEIMIRJX-UHFFFAOYSA-M
Canonic Smiles
CCOC(=O)c1nnnn1[Na]
Isomeric Smiles
n1(nnnc1C(=O)OCC)[Na]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.0041
LogD (pH = 7.4)
-2.0041
Log P
-2.0041
Molar Refractivity
44.089
Polarizability
13.554437
Polar Surface Area
69.9
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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