Molecule

ID:76815

General Information
Structure
MolImage
Molecular Formula
C₂H₂N₄O₃
Molecular Mass
130.06228
Exact Mass
130.01268994
Charge
0
InChI
InChI=1S/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)
InChIKey
QJTIRVUEVSKJTK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1n[nH]c(=O)[nH]1
Isomeric Smiles
[nH]1nc([N+](=O)[O-])[nH]c1=O
Calculated Properties
JChem
Acid pKa
7.287309
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.65327877
LogD (pH = 7.4)
0.33914286
Log P
0.6597763
Molar Refractivity
24.6332
Polarizability
9.112524
Polar Surface Area
99.31
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
Navigation