Molecule

ID:21680

General Information

Structure

Molecular Formula

C₅H₁₂N₂O₂

Molecular Mass

132.16098

Exact Mass

132.08987763

Charge

0

InChI

InChI=1S/C5H12N2O2/c1-2-9-4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)

InChIKey

NMNHXPQJISZDMF-UHFFFAOYSA-N

Canonic Smiles

CCOCCC(=O)NN

Isomeric Smiles

C(=O)(CCOCC)NN

Calculated Properties

JChem

Acid pKa

13.044805

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.9095959

LogD (pH = 7.4)

-0.90709776

Log P

-0.90706486

Molar Refractivity

34.8514

Polarizability

13.3093605

Polar Surface Area

64.35

Rotatable Bonds

4

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