Molecule

ID:45332

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀O₃

Molecular Mass

118.1311

Exact Mass

118.06299418

Charge

0

InChI

InChI=1S/C5H10O3/c1-3-4(8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChIKey

GVSTYPOYHNVKHY-UHFFFAOYSA-N

Canonic Smiles

CCC(C(=O)O)OC

Isomeric Smiles

C(=O)(C(OC)CC)O

Calculated Properties

JChem

Acid pKa

4.1384783

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.68325406

LogD (pH = 7.4)

-2.3805385

Log P

0.6938194

Molar Refractivity

28.115

Polarizability

11.2225

Polar Surface Area

46.53

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