Molecule

ID:91308

General Information
Structure
MolImage
Molecular Formula
C₄Cl₄N₂
Molecular Mass
217.8682
Exact Mass
215.88155873
Charge
0
InChI
InChI=1S/C4Cl4N2/c5-1-2(6)4(8)10-9-3(1)7
InChIKey
XTKMAPVHLBPKPE-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)nnc(c1Cl)Cl
Isomeric Smiles
n1nc(c(c(c1Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6323364
LogD (pH = 7.4)
2.6323364
Log P
2.6323364
Molar Refractivity
45.1062
Polarizability
16.659048
Polar Surface Area
25.78
Rotatable Bonds
0
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