Molecule

ID:65016

General Information

Structure

MolImage

Molecular Formula

C₇H₁₂O₃

Molecular Mass

144.16838

Exact Mass

144.07864424

Charge

0

InChI

InChI=1S/C7H12O3/c1-9-7(8)6-3-2-4-10-5-6/h6H,2-5H2,1H3

InChIKey

RWQWURYBHIADGX-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CCCOC1

Isomeric Smiles

C1COCC(C1)C(=O)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.4994616

LogD (pH = 7.4)

0.4994616

Log P

0.4994616

Molar Refractivity

36.0095

Polarizability

14.39813

Polar Surface Area

35.53

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity