Molecule

ID:65926

General Information

Structure

MolImage

Molecular Formula

C₆H₈O₄

Molecular Mass

144.12532

Exact Mass

144.04225874

Charge

0

InChI

InChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3

InChIKey

KBFOCDFPJBIMBD-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CCOC1=O

Isomeric Smiles

C1CC(C(=O)O1)C(=O)OC

Calculated Properties

JChem

Acid pKa

13.165773

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.03012423

LogD (pH = 7.4)

0.0301235

Log P

0.03012424

Molar Refractivity

31.3689

Polarizability

12.73627

Polar Surface Area

52.6

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