Molecule

ID:16176

General Information

Structure

MolImage

Molecular Formula

C₉H₁₁NO

Molecular Mass

149.18974

Exact Mass

149.08406398

Charge

0

InChI

InChI=1S/C9H11NO/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7,10H2

InChIKey

HVOANTMNYBSIGH-UHFFFAOYSA-N

Canonic Smiles

C=CCOc1ccc(cc1)N

Isomeric Smiles

C(=C)COc1ccc(N)cc1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.5709217

LogD (pH = 7.4)

1.715697

Log P

1.7178984

Molar Refractivity

46.3843

Polarizability

17.436565

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