Molecule
ID:123905
General Information
Molecular Formula
C₇H₈Cl₂N₂O₂
Molecular Mass
223.05662
Exact Mass
221.99628287
Charge
0
InChI
InChI=1S/C7H8Cl2N2O2/c1-4-10-6(8)7(9)11(4)3-5(12)13-2/h3H2,1-2H3
InChIKey
LYILJJGIZAWNLF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1c(C)nc(c1Cl)Cl
Isomeric Smiles
n1(c(c(nc1C)Cl)Cl)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9640521
LogD (pH = 7.4)
0.9686127
Log P
0.96867114
Molar Refractivity
49.8759
Polarizability
19.27102
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...