Molecule

ID:59117

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀O₃

Molecular Mass

118.1311

Exact Mass

118.06299418

Charge

0

InChI

InChI=1S/C5H10O3/c1-2-3-8-4-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey

SGUYGLMQEOSQTH-UHFFFAOYSA-N

Canonic Smiles

CCCOCC(=O)O

Isomeric Smiles

C(=O)(O)COCCC

Calculated Properties

JChem

Acid pKa

4.1876936

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.84847635

LogD (pH = 7.4)

-2.5599294

Log P

0.48186308

Molar Refractivity

28.3697

Polarizability

11.2225

Polar Surface Area

46.53

Rotatable Bonds

4

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