Molecule

ID:65366

General Information

Structure

Molecular Formula

C₆H₁₀O₃

Molecular Mass

130.1418

Exact Mass

130.06299418

Charge

0

InChI

InChI=1S/C6H10O3/c1-2-6(5(7)8)3-9-4-6/h2-4H2,1H3,(H,7,8)

InChIKey

MVJXOACCRTZVJY-UHFFFAOYSA-N

Canonic Smiles

CCC1(COC1)C(=O)O

Isomeric Smiles

C1(COC1)(CC)C(=O)O

Calculated Properties

JChem

Acid pKa

4.2737675

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.6282158

LogD (pH = 7.4)

-2.3610148

Log P

0.62092066

Molar Refractivity

30.9864

Polarizability

12.337922

Polar Surface Area

46.53

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity