Molecule

ID:34070

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₁NO

Molecular Mass

161.20044

Exact Mass

161.08406398

Charge

0

InChI

InChI=1S/C10H11NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-6,12H,7H2,1H3

InChIKey

CEBLTQGXYITWTM-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc2c(c1)ccn2C

Isomeric Smiles

n1(c2c(cc1)cc(cc2)CO)C

Calculated Properties

JChem

Acid pKa

14.924109

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.5283341

LogD (pH = 7.4)

1.5283341

Log P

1.5283341

Molar Refractivity

48.8571

Polarizability

19.795176

Polar Surface Area

25.16

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity