Molecule

ID:59409

General Information

Structure

MolImage

Molecular Formula

C₇H₁₁NO₃

Molecular Mass

157.16714

Exact Mass

157.07389322

Charge

0

InChI

InChI=1S/C7H11NO3/c1-5(9)4-8(6(2)10)7(3)11/h4H2,1-3H3

InChIKey

GKOFSANZTWTSKC-UHFFFAOYSA-N

Canonic Smiles

CC(=O)CN(C(=O)C)C(=O)C

Isomeric Smiles

N(C(=O)C)(C(=O)C)CC(=O)C

Calculated Properties

JChem

Acid pKa

18.94501

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

-1.0103952

LogD (pH = 7.4)

-1.0103952

Log P

-1.0103952

Molar Refractivity

38.5642

Polarizability

15.05712

Polar Surface Area

54.45

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

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Molecule Details

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References

Bioactivity