Molecule

ID:67036

General Information

Structure

MolImage

Molecular Formula

C₅H₅N₅

Molecular Mass

135.1267

Exact Mass

135.05449519

Charge

0

InChI

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

InChIKey

RDUBUZQXHRTBOB-UHFFFAOYSA-N

Canonic Smiles

Nc1nccn2c1nnc2

Isomeric Smiles

c12c(nccn1cnn2)N

Calculated Properties

JChem

Acid pKa

16.967815

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-1.6531311

LogD (pH = 7.4)

-1.6530442

Log P

-1.653043

Molar Refractivity

39.0096

Polarizability

12.712761

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