Molecule

ID:67196

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂N₃O₂
Molecular Mass
208.00222
Exact Mass
206.96023171
Charge
0
InChI
InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
InChIKey
OPXGPTXSLFZVCA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(C)nc(c1[N+](=O)[O-])Cl
Isomeric Smiles
c1(nc(c(c(n1)Cl)[N+](=O)[O-])Cl)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2257915
LogD (pH = 7.4)
2.2257915
Log P
2.2257915
Molar Refractivity
45.3994
Polarizability
16.441778
Polar Surface Area
68.92
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