Molecule

ID:71479

General Information

Structure

Molecular Formula

C₅H₅N₅

Molecular Mass

135.1267

Exact Mass

135.05449519

Charge

0

InChI

InChI=1S/C5H5N5/c6-4-1-2-10-5(3-4)7-8-9-10/h1-3H,6H2

InChIKey

QHWJGMVBUNNSAU-UHFFFAOYSA-N

Canonic Smiles

Nc1ccn2c(c1)nnn2

Isomeric Smiles

n1nnc2cc(ccn12)N

Calculated Properties

JChem

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-0.025993476

LogD (pH = 7.4)

-0.025993368

Log P

-0.025993366

Molar Refractivity

48.8512

Polarizability

12.720971

Polar Surface Area

69.1

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