Molecule

ID:110571

General Information
Structure
MolImage
Molecular Formula
C₄H₅NNa₂O₄
Molecular Mass
177.06634
Exact Mass
177.00139621
Charge
0
InChI
InChI=1S/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKey
HAXVIVNBOQIMTE-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CNCC(=O)[O-].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].[O-]C(=O)CNCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.1223156
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-6.254279
LogD (pH = 7.4)
-7.205595
Log P
-4.0680466
Molar Refractivity
48.5368
Polarizability
10.658736
Polar Surface Area
92.29
Rotatable Bonds
4
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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