Molecule

ID:44576

General Information

Structure

Molecular Formula

C₇H₁₀O₃

Molecular Mass

142.1525

Exact Mass

142.06299418

Charge

0

InChI

InChI=1S/C7H10O3/c1-4-3-5(2)7(9)10-6(4)8/h4-5H,3H2,1-2H3

InChIKey

SIFQWEJOHACJOL-UHFFFAOYSA-N

Canonic Smiles

CC1CC(C)C(=O)OC1=O

Isomeric Smiles

O1C(=O)C(CC(C1=O)C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.2662302

LogD (pH = 7.4)

1.2662302

Log P

1.2662302

Molar Refractivity

34.0816

Polarizability

13.792176

Polar Surface Area

43.37

Rotatable Bonds

0

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