Molecule

ID:64076

General Information

Structure

Molecular Formula

C₅H₉N₃O₂

Molecular Mass

143.14386

Exact Mass

143.06947654

Charge

0

InChI

InChI=1S/C5H9N3O2/c6-8-7-4-2-1-3-5(9)10/h1-4H2,(H,9,10)

InChIKey

SBZDIRMBQJDCLB-UHFFFAOYSA-N

Canonic Smiles

[N-]=[N+]=NCCCCC(=O)O

Isomeric Smiles

C(CCCN=[N+]=[N-])C(=O)O

Calculated Properties

JChem

Acid pKa

4.076168

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-0.6705146

LogD (pH = 7.4)

-2.4009933

Log P

0.74999326

Molar Refractivity

34.6938

Polarizability

12.847862

Polar Surface Area

66.73

Rotatable Bonds

5

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