Molecule

ID:46085

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₅NO₂

Molecular Mass

193.2423

Exact Mass

193.11027873

Charge

0

InChI

InChI=1S/C11H15NO2/c1-2-13-9-4-3-5-10(6-9)14-11-7-12-8-11/h3-6,11-12H,2,7-8H2,1H3

InChIKey

UMZSJTVTLZVCCJ-UHFFFAOYSA-N

Canonic Smiles

CCOc1cccc(c1)OC1CNC1

Isomeric Smiles

N1CC(Oc2cc(OCC)ccc2)C1

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-1.3054385

LogD (pH = 7.4)

0.3482999

Log P

1.5385499

Molar Refractivity

54.1586

Polarizability

21.684015

Polar Surface Area

30.49

Rotatable Bonds

4

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