Molecule

ID:65404

General Information

Structure

MolImage

Molecular Formula

C₄H₈O₂

Molecular Mass

88.10512

Exact Mass

88.0524295

Charge

0

InChI

InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2

InChIKey

SWYHWLFHDVMLHO-UHFFFAOYSA-N

Canonic Smiles

OCC1COC1

Isomeric Smiles

C1C(CO1)CO

Calculated Properties

JChem

Acid pKa

15.325839

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.6832917

LogD (pH = 7.4)

-0.6832917

Log P

-0.6832917

Molar Refractivity

21.8932

Polarizability

8.717666

Polar Surface Area

29.46

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity