Molecule

ID:33566

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO₂

Molecular Mass

159.22608

Exact Mass

159.12592879

Charge

0

InChI

InChI=1S/C8H17NO2/c1-5-7(9(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3

InChIKey

UEVIBTFAJWWRKS-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C(N(C)C)CC

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.3917988

LogD (pH = 7.4)

1.0682943

Log P

1.2621415

Molar Refractivity

44.6083

Polarizability

17.757055

Polar Surface Area

29.54

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