Molecule

ID:104254

General Information
Structure
MolImage
Molecular Formula
C₂H₇LiO₄
Molecular Mass
102.01558
Exact Mass
102.05043825
Charge
0
InChI
InChI=1S/C2H4O2.Li.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2/q;+1;;/p-1
InChIKey
IAQLJCYTGRMXMA-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C.[Li+].O.O
Isomeric Smiles
[Li+].O.O.CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.54344
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.2242727
LogD (pH = 7.4)
-2.9968748
Log P
-0.22334571
Molar Refractivity
23.4808
Polarizability
4.912116
Polar Surface Area
40.13
Rotatable Bonds
0
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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