Molecule

ID:19805

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₅NO

Molecular Mass

213.275

Exact Mass

213.11536411

Charge

0

InChI

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

InChIKey

OMTFBZKZNBBYPB-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(c1)N)OCc1ccccc1

Isomeric Smiles

c1(c(OCc2ccccc2)ccc(c1)C)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

3.1771383

LogD (pH = 7.4)

3.2239125

Log P

3.224543

Molar Refractivity

66.8754

Polarizability

25.372856

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