Molecule

ID:84209

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O
Molecular Mass
188.99888
Exact Mass
187.95441805
Charge
0
InChI
InChI=1S/C6H2Cl2N2O/c7-5-1-4(9-3-11)2-6(8)10-5/h1-2H
InChIKey
OCDFIQXUCLQQHY-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)N=C=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3135726
LogD (pH = 7.4)
2.3135726
Log P
2.3135726
Molar Refractivity
44.7053
Polarizability
15.78971
Polar Surface Area
42.32
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