Molecule

ID:93025

General Information

Structure

Molecular Formula

C₉H₇NO

Molecular Mass

145.15798

Exact Mass

145.05276385

Charge

0

InChI

InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H

InChIKey

YPYPBEGIASEWKA-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)c1cnco1

Isomeric Smiles

n1coc(c1)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.4823575

LogD (pH = 7.4)

1.4823636

Log P

1.4823637

Molar Refractivity

41.7811

Polarizability

17.295752

Polar Surface Area

26.03

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

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Molecule Details

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References

Bioactivity