Molecule

ID:33135

General Information

Structure

MolImage

Molecular Formula

C₄H₉N₃O₂

Molecular Mass

131.13316

Exact Mass

131.06947654

Charge

0

InChI

InChI=1S/C4H9N3O2/c5-3(8)1-2-4(9)7-6/h1-2,6H2,(H2,5,8)(H,7,9)

InChIKey

NIVIWZQORMNQQX-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)CCC(=O)N

Isomeric Smiles

C(=O)(NN)CCC(=O)N

Calculated Properties

JChem

Acid pKa

12.719813

H Acceptors

3

H Donor

3

LogD (pH = 5.5)

-2.3101232

LogD (pH = 7.4)

-2.308862

Log P

-2.3088439

Molar Refractivity

31.6655

Polarizability

12.050771

Polar Surface Area

98.21

Rotatable Bonds

3

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