Molecule

ID:71310

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂
Molecular Mass
225.07404
Exact Mass
223.99080356
Charge
0
InChI
InChI=1S/C10H6Cl2N2/c11-9-6-7(3-5-13-9)8-2-1-4-14-10(8)12/h1-6H
InChIKey
GLIMZUXSXNGIOM-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)c1cccnc1Cl
Isomeric Smiles
c1(c(c2cc(ncc2)Cl)cccn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8335552
LogD (pH = 7.4)
2.8335698
Log P
2.83357
Molar Refractivity
58.6126
Polarizability
23.341948
Polar Surface Area
25.78
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