Molecule

ID:92599

General Information

Structure

Molecular Formula

C₁₀H₉NO

Molecular Mass

159.18456

Exact Mass

159.06841391

Charge

0

InChI

InChI=1S/C10H9NO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2

InChIKey

SLNKACMTMZYMNA-UHFFFAOYSA-N

Canonic Smiles

Nc1cccc(c1)c1ccco1

Isomeric Smiles

o1cccc1c1cccc(c1)N

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.8457692

LogD (pH = 7.4)

1.8517156

Log P

1.8517919

Molar Refractivity

48.2855

Polarizability

19.332235

Polar Surface Area

39.16

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