Molecule

ID:67916

General Information
Structure
Molecular Formula
C₅H₂Cl₂N₂O₂
Molecular Mass
192.98758
Exact Mass
191.94933267
Charge
0
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)
InChIKey
KGBLYFGHJNGQBK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(Cl)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)Cl)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.5766635
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.562103
LogD (pH = 7.4)
-1.9952803
Log P
1.3557621
Molar Refractivity
41.7107
Polarizability
15.098476
Polar Surface Area
63.08
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