Molecule

ID:118945

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂O₃

Molecular Mass

132.15768

Exact Mass

132.07864424

Charge

0

InChI

InChI=1S/C6H12O3/c1-6(8)2-3-9-4-5(6)7/h5,7-8H,2-4H2,1H3

InChIKey

UGXBCUFVNCOZTF-UHFFFAOYSA-N

Canonic Smiles

OC1COCCC1(C)O

Isomeric Smiles

C1(C(O)COCC1)(O)C

Calculated Properties

JChem

Acid pKa

13.159076

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.96710896

LogD (pH = 7.4)

-0.96710974

Log P

-0.96710896

Molar Refractivity

32.4721

Polarizability

13.042427

Polar Surface Area

49.69

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity