Molecule

ID:45209

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂O₂
Molecular Mass
235.06732
Exact Mass
233.99628287
Charge
0
InChI
InChI=1S/C8H8Cl2N2O2/c1-2-14-8(13)4-3-12-7(10)6(11)5(4)9/h3H,2,11H2,1H3
InChIKey
ORXJGLJHMZMKMH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(c(c1Cl)N)Cl
Isomeric Smiles
c1(c(c(c(nc1)Cl)N)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7151988
LogD (pH = 7.4)
1.7151989
Log P
1.7151989
Molar Refractivity
56.0463
Polarizability
20.838942
Polar Surface Area
65.21
Rotatable Bonds
3
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