Molecule

ID:111176

General Information
Structure
MolImage
Molecular Formula
C₄H₅NaO₂
Molecular Mass
108.07107
Exact Mass
108.01872368
Charge
0
InChI
InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1
InChIKey
SONHXMAHPHADTF-UHFFFAOYSA-M
Canonic Smiles
CC(=C)C(=O)[O-].[Na+]
Isomeric Smiles
[Na+].CC(=C)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.850526
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.19176336
LogD (pH = 7.4)
-1.5789503
Log P
0.9284978
Molar Refractivity
32.4856
Polarizability
8.284419
Polar Surface Area
40.13
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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