Molecule

ID:102059

General Information

Structure

MolImage

Molecular Formula

C₆H₇NO₄

Molecular Mass

157.12408

Exact Mass

157.03750771

Charge

0

InChI

InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3

InChIKey

SIFCHNIAAPMMKG-UHFFFAOYSA-N

Canonic Smiles

CC(=O)ON1C(=O)CCC1=O

Isomeric Smiles

CC(=O)ON1C(=O)CCC1=O

Calculated Properties

JChem

Acid pKa

17.709993

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

-0.8537603

LogD (pH = 7.4)

-0.8537603

Log P

-0.8537603

Molar Refractivity

33.1975

Polarizability

13.315926

Polar Surface Area

63.68

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