Molecule

ID:111282

General Information
Structure
MolImage
Molecular Formula
C₃H₃NaO₂
Molecular Mass
94.04449
Exact Mass
94.00307362
Charge
0
InChI
InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1
InChIKey
NNMHYFLPFNGQFZ-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C=C.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)C=C
Calculated Properties
JChem
Acid pKa
4.7158084
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.31655344
LogD (pH = 7.4)
-2.0941725
Log P
0.5329473
Molar Refractivity
28.1285
Polarizability
6.463116
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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