Molecule

ID:20134

General Information

Structure

Molecular Formula

C₁₄H₁₅NO

Molecular Mass

213.275

Exact Mass

213.11536411

Charge

0

InChI

InChI=1S/C14H15NO/c1-2-11-5-3-4-6-14(11)16-13-9-7-12(15)8-10-13/h3-10H,2,15H2,1H3

InChIKey

YPJPFSAMWNOLRZ-UHFFFAOYSA-N

Canonic Smiles

CCc1ccccc1Oc1ccc(cc1)N

Isomeric Smiles

c1(Oc2ccc(N)cc2)c(CC)cccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.568448

LogD (pH = 7.4)

3.60215

Log P

3.602597

Molar Refractivity

66.6414

Polarizability

25.43501

Polar Surface Area

35.25

Rotatable Bonds

3

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