Molecule

ID:69183

General Information

Structure

Molecular Formula

C₁₀H₉NO

Molecular Mass

159.18456

Exact Mass

159.06841391

Charge

0

InChI

InChI=1S/C10H9NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-7H,1H3

InChIKey

NRQNEMBSIAIKFB-UHFFFAOYSA-N

Canonic Smiles

COc1cccc2c1ccnc2

Isomeric Smiles

c1nccc2c(cccc12)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.5432358

LogD (pH = 7.4)

1.5867871

Log P

1.5873789

Molar Refractivity

46.8145

Polarizability

19.515593

Polar Surface Area

22.12

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