Molecule

ID:796980

General Information

Structure

Molecular Formula

C₅H₁₀O₃

Molecular Mass

118.1311

Exact Mass

118.06299418

Charge

0

InChI

InChI=1S/C5H10O3/c6-2-5-1-4(7)3-8-5/h4-7H,1-3H2

InChIKey

WDMXOLOBWMBITN-UHFFFAOYSA-N

Canonic Smiles

OCC1OCC(C1)O

Isomeric Smiles

O1CC(CC1CO)O

Calculated Properties

JChem

Acid pKa

14.200185

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-1.2476857

LogD (pH = 7.4)

-1.2476857

Log P

-1.2476857

Molar Refractivity

27.8339

Polarizability

11.2225

Polar Surface Area

49.69

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

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Molecule Details

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References

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Bioactivity