Molecule

ID:128347

General Information

Structure

MolImage

Molecular Formula

C₁₂H₁₉NO₂

Molecular Mass

209.28476

Exact Mass

209.14157885

Charge

0

InChI

InChI=1S/C12H19NO2/c1-9(13-2)7-10-8-11(14-3)5-6-12(10)15-4/h5-6,8-9,13H,7H2,1-4H3

InChIKey

RSDBPMOXIPCTPN-UHFFFAOYSA-N

Canonic Smiles

CNC(Cc1cc(OC)ccc1OC)C

Isomeric Smiles

O(c1ccc(OC)cc1CC(NC)C)C

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-1.29688

LogD (pH = 7.4)

-0.58533394

Log P

1.9214883

Molar Refractivity

61.4062

Polarizability

24.179579

Polar Surface Area

30.49

Rotatable Bonds

5

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

References

Bioactivity