Molecule

ID:79625

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂
Molecular Mass
239.10062
Exact Mass
238.00645363
Charge
0
InChI
InChI=1S/C11H8Cl2N2/c12-9-7-10(13)15-11(14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
ACEVCJQVGFNGAU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)nc(n1)Cc1ccccc1
Isomeric Smiles
n1c(nc(cc1Cl)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.076016
LogD (pH = 7.4)
4.076016
Log P
4.076016
Molar Refractivity
63.8008
Polarizability
23.782452
Polar Surface Area
25.78
Rotatable Bonds
2
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