Molecule

ID:63077

General Information

Structure

MolImage

Molecular Formula

C₈H₈N₂

Molecular Mass

132.16252

Exact Mass

132.06874827

Charge

0

InChI

InChI=1S/C8H8N2/c1-7-6-9-8-4-2-3-5-10(7)8/h2-6H,1H3

InChIKey

DLTHEPWEENQLKV-UHFFFAOYSA-N

Canonic Smiles

Cc1cnc2n1cccc2

Isomeric Smiles

c1cc2n(cc1)c(cn2)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

-0.011076861

LogD (pH = 7.4)

0.8027564

Log P

0.95911074

Molar Refractivity

41.0861

Polarizability

15.050159

Polar Surface Area

17.3

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

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Molecule Details

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References

Bioactivity