Molecule

ID:20503

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₅NO

Molecular Mass

213.275

Exact Mass

213.11536411

Charge

0

InChI

InChI=1S/C14H15NO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3

InChIKey

YMZVPMQBIGSBOW-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1C)OCc1ccccc1

Isomeric Smiles

c1(c(ccc(c1)OCc1ccccc1)N)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

3.1244957

LogD (pH = 7.4)

3.223127

Log P

3.224543

Molar Refractivity

66.8754

Polarizability

25.37138

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