Molecule

ID:12421

General Information

Structure

MolImage

Molecular Formula

C₁₀H₈N₂

Molecular Mass

156.18392

Exact Mass

156.06874827

Charge

0

InChI

InChI=1S/C10H8N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8H

InChIKey

OXPDQFOKSZYEMJ-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)c1ncccn1

Isomeric Smiles

c1cnc(nc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.3979821

LogD (pH = 7.4)

2.3980613

Log P

2.3980625

Molar Refractivity

58.1334

Polarizability

18.86179

Polar Surface Area

25.78

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