Molecule

ID:20170

General Information

Structure

Molecular Formula

C₁₄H₁₅NO₂

Molecular Mass

229.2744

Exact Mass

229.11027873

Charge

0

InChI

InChI=1S/C14H15NO2/c1-2-16-13-4-3-5-14(10-13)17-12-8-6-11(15)7-9-12/h3-10H,2,15H2,1H3

InChIKey

BBAMFGKQKILOIP-UHFFFAOYSA-N

Canonic Smiles

CCOc1cccc(c1)Oc1ccc(cc1)N

Isomeric Smiles

c1c(Oc2ccc(N)cc2)cccc1OCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.8222423

LogD (pH = 7.4)

2.8434663

Log P

2.8437438

Molar Refractivity

68.211

Polarizability

26.160564

Polar Surface Area

44.48

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