Molecule

ID:86225

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₃NaO₂
Molecular Mass
163.10981
Exact Mass
163.03577073
Charge
0
InChI
InChI=1S/C5H7N3O2.Na/c1-3-4(7-10)5(9)8(2)6-3;/h10H,1-2H3;/q;+1/p-1
InChIKey
IBVRTIXBVDHFTF-UHFFFAOYSA-M
Canonic Smiles
[O-]/N=C/1\C(=NN(C1=O)C)C.[Na+]
Isomeric Smiles
N1=C(/C(=N\[O-])/C(=O)N1C)C.[Na+]
Calculated Properties
JChem
Acid pKa
7.72023
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.23221065
LogD (pH = 7.4)
0.06589463
Log P
0.23480733
Molar Refractivity
33.2117
Polarizability
12.338633
Polar Surface Area
68.09
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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