Molecule

ID:81548

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO₂

Molecular Mass

159.22608

Exact Mass

159.12592879

Charge

0

InChI

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

InChIKey

ASVKBSWWRBCOBX-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CNC(C)(C)C

Isomeric Smiles

N(CC(=O)OCC)C(C)(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.39393353

LogD (pH = 7.4)

0.760448

Log P

0.8417665

Molar Refractivity

44.1013

Polarizability

17.757055

Polar Surface Area

38.33

Rotatable Bonds

5

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