Molecule

ID:86844

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₃NO₂
Molecular Mass
302.54054
Exact Mass
300.94641148
Charge
0
InChI
InChI=1S/C12H6Cl3NO2/c13-7-1-3-9(4-2-7)18-12(17)10-5-8(14)6-16-11(10)15/h1-6H
InChIKey
OEGDPJOIZLOJQO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C(=O)Oc1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.44932
LogD (pH = 7.4)
4.44932
Log P
4.44932
Molar Refractivity
71.1797
Polarizability
27.403748
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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