Molecule

ID:24375

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO₂

Molecular Mass

159.22608

Exact Mass

159.12592879

Charge

0

InChI

InChI=1S/C8H17NO2/c1-4-11-8(10)5-6-9-7(2)3/h7,9H,4-6H2,1-3H3

InChIKey

BGEHOKVPALSAIX-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCNC(C)C

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.4026217

LogD (pH = 7.4)

-1.495956

Log P

0.7982026

Molar Refractivity

44.1625

Polarizability

17.757055

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

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Molecule Details

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References

Bioactivity