Molecule

ID:92141

General Information

Structure

Molecular Formula

C₁₀H₉N

Molecular Mass

143.18516

Exact Mass

143.07349929

Charge

0

InChI

InChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3

InChIKey

PPEJLOXOMBAXES-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc2c(c1)ccnc2

Isomeric Smiles

n1cc2ccc(cc2cc1)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.813088

LogD (pH = 7.4)

2.2463605

Log P

2.2584715

Molar Refractivity

45.3925

Polarizability

18.83612

Polar Surface Area

12.89

Rotatable Bonds

0

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