Molecule

ID:84170

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₄NO₂
Molecular Mass
331.02254
Exact Mass
328.95438932
Charge
0
InChI
InChI=1S/C11H11Cl4NO2/c1-16(2)10(17)18-8-5-3-7(4-6-8)9(12)11(13,14)15/h3-6,9H,1-2H3
InChIKey
IQNSHBDJCCHHBV-UHFFFAOYSA-N
Canonic Smiles
ClC(C(Cl)(Cl)Cl)c1ccc(cc1)OC(=O)N(C)C
Isomeric Smiles
O(c1ccc(cc1)C(C(Cl)(Cl)Cl)Cl)C(=O)N(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9164786
LogD (pH = 7.4)
3.9164786
Log P
3.9164786
Molar Refractivity
75.1521
Polarizability
28.96862
Polar Surface Area
29.54
Rotatable Bonds
4
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