Molecule

ID:109320

General Information
Structure
MolImage
Molecular Formula
C₄H₇NaO₃
Molecular Mass
126.08635
Exact Mass
126.02928837
Charge
0
InChI
InChI=1S/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
MOSCXNXKSOHVSQ-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(CC)O.[Na+]
Isomeric Smiles
[Na+].CCC(O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.9899988
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4683932
LogD (pH = 7.4)
-3.1140854
Log P
0.05069288
Molar Refractivity
34.2009
Polarizability
9.2274685
Polar Surface Area
60.36
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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