Molecule
ID:68479
General Information
Molecular Formula
C₅H₄N₄O₄
Molecular Mass
184.10966
Exact Mass
184.02325463
Charge
0
InChI
InChI=1S/C5H4N4O4/c6-5-3(8(10)11)1-7-2-4(5)9(12)13/h1-2H,(H2,6,7)
InChIKey
IEUQRKITTGSLJL-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cncc1[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
c1c(c(c(cn1)[N+](=O)[O-])N)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
14.452158
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
1.1066154
LogD (pH = 7.4)
1.1066158
Log P
1.1066158
Molar Refractivity
41.2425
Polarizability
14.626475
Polar Surface Area
125.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...