Molecule

ID:67475

General Information

Structure

MolImage

Molecular Formula

C₉H₇NO

Molecular Mass

145.15798

Exact Mass

145.05276385

Charge

0

InChI

InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H

InChIKey

IQQDNMHUOLMLNJ-UHFFFAOYSA-N

Canonic Smiles

Oc1cnc2c(c1)cccc2

Isomeric Smiles

n1cc(cc2ccccc12)O

Calculated Properties

JChem

Acid pKa

9.670687

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.7964933

LogD (pH = 7.4)

1.8246194

Log P

1.8273351

Molar Refractivity

41.9602

Polarizability

17.594162

Polar Surface Area

33.12

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity