Molecule

ID:36974

General Information

Structure

Molecular Formula

C₁₀H₆N₂

Molecular Mass

154.16804

Exact Mass

154.0530982

Charge

0

InChI

InChI=1S/C10H6N2/c11-7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H

InChIKey

OZMHIFNNCZPJFS-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ccc2c(c1)nccc2

Isomeric Smiles

c1c(cc2c(c1)cccn2)C#N

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.98679

LogD (pH = 7.4)

1.986994

Log P

1.9869967

Molar Refractivity

45.7009

Polarizability

18.84498

Polar Surface Area

36.68

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