Molecule

ID:112072

General Information
Structure
MolImage
Molecular Formula
C₅H₇NaO₂
Molecular Mass
122.09765
Exact Mass
122.03437375
Charge
0
InChI
InChI=1S/C5H8O2.Na/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1
InChIKey
AIWZOHBYSFSQGV-UHFFFAOYSA-M
Canonic Smiles
[O-]/C(=C\C(=O)C)/C.[Na+]
Isomeric Smiles
[Na+].C/C(=C/C(=O)C)/[O-]
Calculated Properties
JChem
Acid pKa
8.890059
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.34432292
LogD (pH = 7.4)
0.33067483
Log P
0.3444997
Molar Refractivity
39.1896
Polarizability
10.113493
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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