Molecule

ID:35938

General Information

Structure

MolImage

Molecular Formula

C₇H₁₁NO₃

Molecular Mass

157.16714

Exact Mass

157.07389322

Charge

0

InChI

InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3

InChIKey

RMZSOGJUEUFCBK-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(=O)CN=C=O

Isomeric Smiles

C(=NCC(=O)OCCCC)=O

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

0.90515685

LogD (pH = 7.4)

0.90515685

Log P

0.90515685

Molar Refractivity

38.0655

Polarizability

14.967497

Polar Surface Area

55.73

Rotatable Bonds

6

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