Molecule

ID:24392

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO₂

Molecular Mass

159.22608

Exact Mass

159.12592879

Charge

0

InChI

InChI=1S/C8H17NO2/c1-3-6-9-7-5-8(10)11-4-2/h9H,3-7H2,1-2H3

InChIKey

LQWPGIJZDZKYQD-UHFFFAOYSA-N

Canonic Smiles

CCCNCCC(=O)OCC

Isomeric Smiles

C(=O)(CCNCCC)OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.3024316

LogD (pH = 7.4)

-1.4497993

Log P

0.90414995

Molar Refractivity

44.2677

Polarizability

17.757055

Polar Surface Area

38.33

Rotatable Bonds

7

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