Molecule

ID:66669

General Information

Structure

MolImage

Molecular Formula

C₉H₅NO

Molecular Mass

143.1421

Exact Mass

143.03711379

Charge

0

InChI

InChI=1S/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H

InChIKey

ZQGAXHXHVKVERC-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cc2c(o1)cccc2

Isomeric Smiles

o1c(cc2c1cccc2)C#N

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.9084666

LogD (pH = 7.4)

1.9084666

Log P

1.9084666

Molar Refractivity

40.4982

Polarizability

16.566484

Polar Surface Area

36.93

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