Molecule

ID:80255

General Information

Structure

Molecular Formula

C₅H₄N₄

Molecular Mass

120.11206

Exact Mass

120.04359615

Charge

0

InChI

InChI=1S/C5H4N4/c1-2-4-9-5(3-1)6-7-8-9/h1-4H

InChIKey

BPDSGGQFORKTMY-UHFFFAOYSA-N

Canonic Smiles

c1ccc2n(c1)nnn2

Isomeric Smiles

n12nnnc1cccc2

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

0.8029325

LogD (pH = 7.4)

0.80293256

Log P

0.80293256

Molar Refractivity

44.1508

Polarizability

11.558923

Polar Surface Area

43.08

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity