Molecule

ID:9427

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₅NO

Molecular Mass

213.275

Exact Mass

213.11536411

Charge

0

InChI

InChI=1S/C14H15NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2

InChIKey

CNALSZKXQUFGDN-UHFFFAOYSA-N

Canonic Smiles

NCCc1cccc(c1)Oc1ccccc1

Isomeric Smiles

c1(cc(ccc1)CCN)Oc1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.12027145

LogD (pH = 7.4)

0.6079716

Log P

2.8879626

Molar Refractivity

65.5272

Polarizability

25.837051

Polar Surface Area

35.25

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