Molecule

ID:54197

General Information

Structure

MolImage

Molecular Formula

C₃H₄N₂O

Molecular Mass

84.07666

Exact Mass

84.03236276

Charge

0

InChI

InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2

InChIKey

IAXWZYXUKABJAN-UHFFFAOYSA-N

Canonic Smiles

Nc1ccno1

Isomeric Smiles

c1(ccno1)N

Calculated Properties

JChem

Acid pKa

15.919029

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.40192875

LogD (pH = 7.4)

-0.4018448

Log P

-0.40184373

Molar Refractivity

21.4537

Polarizability

7.517012

Polar Surface Area

52.05

Rotatable Bonds

0

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