Molecule

ID:107610

General Information

Structure

MolImage

Molecular Formula

C₈H₉NO

Molecular Mass

135.16316

Exact Mass

135.06841391

Charge

0

InChI

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

InChIKey

NCCHARWOCKOHIH-UHFFFAOYSA-N

Canonic Smiles

CNC(=O)c1ccccc1

Isomeric Smiles

CNC(=O)c1ccccc1

Calculated Properties

JChem

Acid pKa

14.925341

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.0475619

LogD (pH = 7.4)

1.0475621

Log P

1.0475621

Molar Refractivity

40.0331

Polarizability

14.998269

Polar Surface Area

29.1

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity