Molecule

ID:81025

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₃NO₂
Molecular Mass
358.64686
Exact Mass
357.00901173
Charge
0
InChI
InChI=1S/C16H14Cl3NO2/c17-9-16(21)22-20(10-12-1-5-14(18)6-2-12)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2
InChIKey
PPFLVAZWSRXOMY-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)ON(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl
Isomeric Smiles
N(OC(=O)CCl)(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.762532
LogD (pH = 7.4)
4.762546
Log P
4.762546
Molar Refractivity
89.1975
Polarizability
35.167385
Polar Surface Area
29.54
Rotatable Bonds
7
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