Molecule

ID:61773

General Information

Structure

MolImage

Molecular Formula

C₅H₈O₃

Molecular Mass

116.11522

Exact Mass

116.04734412

Charge

0

InChI

InChI=1S/C5H8O3/c6-5(7)1-4-2-8-3-4/h4H,1-3H2,(H,6,7)

InChIKey

FSJPCGQVHNWRGI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CC1COC1

Isomeric Smiles

C(=O)(CC1COC1)O

Calculated Properties

JChem

Acid pKa

4.276217

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-1.6302018

LogD (pH = 7.4)

-3.3635454

Log P

-0.3833653

Molar Refractivity

26.5917

Polarizability

10.524128

Polar Surface Area

46.53

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

No Data Available

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Molecule Details

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References

Bioactivity