Molecule

ID:53288

General Information

Structure

MolImage

Molecular Formula

C₅H₆O₄

Molecular Mass

130.09874

Exact Mass

130.02660867

Charge

0

InChI

InChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3

InChIKey

ASEPVSZWYGTTAB-UHFFFAOYSA-N

Canonic Smiles

CC1OC(=O)C(=C1O)O

Isomeric Smiles

O1C(=O)C(=C(C1C)O)O

Calculated Properties

JChem

Acid pKa

5.0309086

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.8319882

LogD (pH = 7.4)

-2.57827

Log P

-0.23631397

Molar Refractivity

29.5259

Polarizability

11.140744

Polar Surface Area

66.76

Rotatable Bonds

0

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