Molecule

ID:67060

General Information

Structure

MolImage

Molecular Formula

C₃H₂N₂O₃

Molecular Mass

114.05958

Exact Mass

114.00654193

Charge

0

InChI

InChI=1S/C3H2N2O3/c6-5(7)3-1-4-8-2-3/h1-2H

InChIKey

LLLMLGQOFWRRTH-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1conc1

Isomeric Smiles

o1ncc(c1)[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

16.391277

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

0.2777754

LogD (pH = 7.4)

0.2777754

Log P

0.2777754

Molar Refractivity

23.8205

Polarizability

8.4785385

Polar Surface Area

69.17

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity