Molecule

ID:24271

General Information

Structure

MolImage

Molecular Formula

C₉H₁₉NO₂

Molecular Mass

173.25266

Exact Mass

173.14157885

Charge

0

InChI

InChI=1S/C9H19NO2/c1-4-8(3)10-7-6-9(11)12-5-2/h8,10H,4-7H2,1-3H3

InChIKey

QYLZGYGTVCVQMC-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCNC(CC)C

Isomeric Smiles

C(=O)(CCNC(CC)C)OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.8919901

LogD (pH = 7.4)

-1.1065273

Log P

1.320725

Molar Refractivity

48.6865

Polarizability

19.596916

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

No Data Available

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Molecule Details

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References

Bioactivity