Molecule

ID:40212

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₄NO₂
Molecular Mass
351.01218
Exact Mass
348.92308919
Charge
0
InChI
InChI=1S/C13H7Cl4NO2/c14-9-3-1-7(2-4-9)11(19)8-5-10(18-6-8)12(20)13(15,16)17/h1-6,18H
InChIKey
GDGXABSJTJIFIN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
c1(cc(C(=O)C(Cl)(Cl)Cl)[nH]c1)C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
10.264737
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3465576
LogD (pH = 7.4)
4.345994
Log P
4.346565
Molar Refractivity
81.992
Polarizability
30.994488
Polar Surface Area
49.93
Rotatable Bonds
4
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