Molecule

ID:106120

General Information
Structure
MolImage
Molecular Formula
C₄H₅LiO₃
Molecular Mass
108.0217
Exact Mass
108.03987357
Charge
0
InChI
InChI=1S/C4H6O3.Li/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
UTLRZTUJSMCBHB-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CC(=O)C.[Li+]
Isomeric Smiles
[Li+].CC(=O)CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.024917
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.487066
LogD (pH = 7.4)
-3.1460958
Log P
-0.0014917457
Molar Refractivity
33.376
Polarizability
8.698996
Polar Surface Area
57.2
Rotatable Bonds
2
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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