Molecule

ID:129900

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₅NO₂

Molecular Mass

229.2744

Exact Mass

229.11027873

Charge

0

InChI

InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,16H,9-10,15H2

InChIKey

OVUVNKDANCKDCK-UHFFFAOYSA-N

Canonic Smiles

NCCc1ccc(cc1)Oc1ccc(cc1)O

Isomeric Smiles

O(c1ccc(cc1)CCN)c1ccc(O)cc1

Calculated Properties

JChem

Acid pKa

9.447244

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-0.42329165

LogD (pH = 7.4)

0.31077096

Log P

1.950092

Molar Refractivity

67.5081

Polarizability

26.400696

Polar Surface Area

55.48

Rotatable Bonds

4

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