Molecule

ID:111272

General Information

Structure

MolImage

Molecular Formula

C₄H₈NaO₂

Molecular Mass

111.09489

Exact Mass

111.04219878

Charge

0

InChI

InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);

InChIKey

SWEYNHYBJHPVJL-UHFFFAOYSA-N

Canonic Smiles

CCCC(=O)O.[Na]

Isomeric Smiles

[Na].CCCC(=O)O

Calculated Properties

JChem

Acid pKa

4.9079223

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.23125745

LogD (pH = 7.4)

-1.5335919

Log P

0.9217588

Molar Refractivity

21.8716

Polarizability

8.649612

Polar Surface Area

37.3

Rotatable Bonds

2

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