Molecule

ID:87131

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)6-5-7-9(2)3/h4-7H2,1-3H3

InChIKey

FNOBLETXVSZOGS-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCCN(C)C

Isomeric Smiles

O=C(OCC)CCCN(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-2.5707724

LogD (pH = 7.4)

-1.0508561

Log P

0.69652873

Molar Refractivity

45.0448

Polarizability

17.757055

Polar Surface Area

29.54

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity