Molecule

ID:59063

General Information

Structure

MolImage

Molecular Formula

C₇H₄N₄

Molecular Mass

144.13346

Exact Mass

144.04359615

Charge

0

InChI

InChI=1S/C7H4N4/c8-4-6-2-1-3-10-7(6)11-5-9/h1-3H,(H,10,11)

InChIKey

NPZFPDRFXDVSFJ-UHFFFAOYSA-N

Canonic Smiles

N#CNc1ncccc1C#N

Isomeric Smiles

C(#N)Nc1c(C#N)cccn1

Calculated Properties

JChem

Acid pKa

11.164403

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

0.65942085

LogD (pH = 7.4)

0.65935075

Log P

0.65942174

Molar Refractivity

41.0889

Polarizability

14.10077

Polar Surface Area

72.5

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