Molecule

ID:61573

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClN₃O₂
Molecular Mass
209.58926
Exact Mass
208.99920406
Charge
0
InChI
InChI=1S/C8H4ClN3O2/c9-8-4-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-4H
InChIKey
DCWHGXURAAYUEC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2nc(Cl)cnc2cc1
Isomeric Smiles
[N+](=O)(c1cc2nc(cnc2cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.063284
LogD (pH = 7.4)
2.0632844
Log P
2.0632844
Molar Refractivity
49.637
Polarizability
19.90377
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