Molecule

ID:91346

General Information
Structure
MolImage
Molecular Formula
C₃H₅NaO₂
Molecular Mass
96.06037
Exact Mass
96.01872368
Charge
0
InChI
InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKey
JXKPEJDQGNYQSM-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CC.[Na+]
Isomeric Smiles
O=C(CC)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
4.754671
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.3392157
LogD (pH = 7.4)
-2.115821
Log P
0.47719014
Molar Refractivity
28.1077
Polarizability
6.7159452
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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