Molecule

ID:24334

General Information

Structure

MolImage

Molecular Formula

C₉H₁₉NO₂

Molecular Mass

173.25266

Exact Mass

173.14157885

Charge

0

InChI

InChI=1S/C9H19NO2/c1-5-12-8(11)6-7-10-9(2,3)4/h10H,5-7H2,1-4H3

InChIKey

MRBYLBKVCAGYBL-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCNC(C)(C)C

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.129711

LogD (pH = 7.4)

-1.2967805

Log P

1.0787792

Molar Refractivity

48.8007

Polarizability

19.596916

Polar Surface Area

38.33

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