Molecule

ID:24348

General Information

Structure

MolImage

Molecular Formula

C₁₂H₂₅NO₂

Molecular Mass

215.3324

Exact Mass

215.18852905

Charge

0

InChI

InChI=1S/C12H25NO2/c1-3-5-6-7-8-10-13-11-9-12(14)15-4-2/h13H,3-11H2,1-2H3

InChIKey

REFIFNNSZWZNAX-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCNCCC(=O)OCC

Isomeric Smiles

C(=O)(CCNCCCCCCC)OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.5261162

LogD (pH = 7.4)

0.30627862

Log P

2.6824245

Molar Refractivity

62.6717

Polarizability

25.12224

Polar Surface Area

38.33

Rotatable Bonds

11

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