Molecule

ID:64843

General Information

Structure

MolImage

Molecular Formula

C₅H₇N₃

Molecular Mass

109.12918

Exact Mass

109.06399724

Charge

0

InChI

InChI=1S/C5H7N3/c1-2-5(1)8-3-6-7-4-8/h3-5H,1-2H2

InChIKey

BMHJVMAHIYFSOF-UHFFFAOYSA-N

Canonic Smiles

C1CC1n1cnnc1

Isomeric Smiles

n1(cnnc1)C1CC1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.41669735

LogD (pH = 7.4)

-0.41643858

Log P

-0.41643527

Molar Refractivity

31.3369

Polarizability

10.996046

Polar Surface Area

30.71

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