Molecule

ID:136462

General Information
Structure
MolImage
Molecular Formula
C₃H₃NaO₃
Molecular Mass
116.043173
Exact Mass
116.01072738
Charge
0
InChI
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i4+2,5+2,6+2;
InChIKey
DAEPDZWVDSPTHF-JXCBAZJCSA-M
Canonic Smiles
CC(=[18O])C(=[18O])[18O-].[Na+]
Isomeric Smiles
CC(=[18O])C(=[18O])[18O-].[Na+]
Calculated Properties
JChem
Acid pKa
2.9301233
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.4600048
LogD (pH = 7.4)
-3.4164543
Log P
0.06587395
Molar Refractivity
28.8268
Polarizability
6.905475
Polar Surface Area
57.2
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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