Molecule

ID:24347

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₃NO₂

Molecular Mass

201.30582

Exact Mass

201.17287898

Charge

0

InChI

InChI=1S/C11H23NO2/c1-3-4-5-6-7-9-12-10-8-11(13)14-2/h12H,3-10H2,1-2H3

InChIKey

HCHXNCFKTWGXNH-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCNCCC(=O)OC

Isomeric Smiles

C(=O)(CCNCCCCCCC)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.8829247

LogD (pH = 7.4)

-0.05053602

Log P

2.3256166

Molar Refractivity

57.9231

Polarizability

23.279713

Polar Surface Area

38.33

Rotatable Bonds

10

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