Molecule

ID:85296

General Information
Structure
Molecular Formula
C₆H₃Cl₄N
Molecular Mass
230.90672
Exact Mass
228.90195982
Charge
0
InChI
InChI=1S/C6H3Cl4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey
VLJIVLGVKMTBOD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(ccc(c1)C(Cl)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0776992
LogD (pH = 7.4)
3.0777035
Log P
3.0777035
Molar Refractivity
50.2453
Polarizability
18.925411
Polar Surface Area
12.89
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