Molecule

ID:111114

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂Na₂O₂
Molecular Mass
160.08218
Exact Mass
160.022466
Charge
0
InChI
InChI=1S/C4H8N2O2.2Na/c1-3(5-7)4(2)6-8;;/h7-8H,1-2H3;;/q;2*+1/p-2
InChIKey
QLTLFMCLBXKKCR-UHFFFAOYSA-L
Canonic Smiles
[O-]/N=C(/C(=N/[O-])/C)\C.[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].C/C(=N\[O-])/C(=N/[O-])/C
Calculated Properties
JChem
Acid pKa
7.886533
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.4126258
LogD (pH = 7.4)
0.29240566
Log P
0.41445905
Molar Refractivity
26.9408
Polarizability
10.303641
Polar Surface Area
70.84
Rotatable Bonds
1
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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