Molecule

ID:73776

General Information

Structure

MolImage

Molecular Formula

C₁₆H₁₉NO₂

Molecular Mass

257.32756

Exact Mass

257.14157885

Charge

0

InChI

InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3

InChIKey

QNMGHBMGNRQPNL-UHFFFAOYSA-N

Canonic Smiles

CN(CC(Oc1ccccc1)Oc1ccccc1)C

Isomeric Smiles

N(CC(Oc1ccccc1)Oc1ccccc1)(C)C

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.1843454

LogD (pH = 7.4)

2.958365

Log P

3.8041468

Molar Refractivity

75.8301

Polarizability

30.188293

Polar Surface Area

21.7

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity