Molecule

ID:41810

General Information

Structure

MolImage

Molecular Formula

C₈H₉NO

Molecular Mass

135.16316

Exact Mass

135.06841391

Charge

0

InChI

InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7-

InChIKey

JHNRZXQVBKRYKN-CLFYSBASSA-N

Canonic Smiles

O/N=C(\c1ccccc1)/C

Isomeric Smiles

C(=N\O)(\c1ccccc1)/C

Calculated Properties

JChem

Acid pKa

9.065979

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.5393531

LogD (pH = 7.4)

1.5311294

Log P

1.5403731

Molar Refractivity

40.2825

Polarizability

15.418592

Polar Surface Area

32.59

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