Molecule

ID:69094

General Information

Structure

MolImage

Molecular Formula

C₄H₈O₄

Molecular Mass

120.10392

Exact Mass

120.04225874

Charge

0

InChI

InChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m0/s1

InChIKey

COFCNNXZXGCREM-VKHMYHEASA-N

Canonic Smiles

COC(=O)[C@H](CO)O

Isomeric Smiles

C(=O)([C@H](CO)O)OC

Calculated Properties

JChem

Acid pKa

11.946086

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-1.3728455

LogD (pH = 7.4)

-1.3728578

Log P

-1.3728454

Molar Refractivity

25.1526

Polarizability

10.284849

Polar Surface Area

66.76

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