Molecule

ID:87279

General Information
Structure
MolImage
Molecular Formula
C₃H₂Na₂O₄
Molecular Mass
148.02512
Exact Mass
147.97484711
Charge
0
InChI
InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKey
PRWXGRGLHYDWPS-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CC(=O)[O-].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].[O-]C(=O)CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.428424
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.4132009
LogD (pH = 7.4)
-5.336086
Log P
-0.33111727
Molar Refractivity
40.662
Polarizability
7.372623
Polar Surface Area
80.26
Rotatable Bonds
2
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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