Molecule

ID:72183

General Information

Structure

Molecular Formula

C₂H₆N₂O₂

Molecular Mass

90.08124

Exact Mass

90.04292744

Charge

0

InChI

InChI=1S/C2H6N2O2/c3-2(1-5)4-6/h5-6H,1H2,(H2,3,4)

InChIKey

WEOOQFYHYZGYRC-UHFFFAOYSA-N

Canonic Smiles

OC/C(=N\O)/N

Isomeric Smiles

C(=N\O)(/N)\CO

Calculated Properties

JChem

Acid pKa

9.741096

H Acceptors

4

H Donor

3

LogD (pH = 5.5)

-1.7824657

LogD (pH = 7.4)

-1.7828859

Log P

-1.7808899

Molar Refractivity

20.1119

Polarizability

7.7248654

Polar Surface Area

78.84

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