Molecule

ID:64074

General Information

Structure

MolImage

Molecular Formula

C₃H₅N₃O₂

Molecular Mass

115.0907

Exact Mass

115.03817642

Charge

0

InChI

InChI=1S/C3H5N3O2/c4-6-5-2-1-3(7)8/h1-2H2,(H,7,8)

InChIKey

YIPVUXAMZQBALD-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

OC(=O)CCN=[N+]=[N-]

Calculated Properties

JChem

Acid pKa

3.695452

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-1.9004829

LogD (pH = 7.4)

-3.4045823

Log P

0.016763408

Molar Refractivity

25.3378

Polarizability

9.251226

Polar Surface Area

66.73

Rotatable Bonds

3

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