Molecule

ID:111984

General Information

Structure

MolImage

Molecular Formula

C₄H₅LiO₄

Molecular Mass

124.0211

Exact Mass

124.03478819

Charge

0

InChI

InChI=1S/C4H6O4.Li/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-1

InChIKey

LQNUMILKBSMSMM-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)CCC(=O)O.[Li+]

Isomeric Smiles

[Li+].OC(=O)CCC(=O)[O-]

Calculated Properties

JChem

Acid pKa

3.5541666

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-2.5536554

LogD (pH = 7.4)

-5.4738803

Log P

-0.39848298

Molar Refractivity

34.3741

Polarizability

9.264066

Polar Surface Area

77.43

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity