Molecule

ID:28772

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆Cl₃NO
Molecular Mass
344.66334
Exact Mass
343.02974718
Charge
0
InChI
InChI=1S/C16H16Cl3NO/c1-11(21-16-7-6-13(17)8-15(16)19)9-20-10-12-4-2-3-5-14(12)18/h2-8,11,20H,9-10H2,1H3
InChIKey
NIYICYTYFFZBBW-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1Cl)Cl)CNCc1ccccc1Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)OC(CNCc1c(Cl)cccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.525068
LogD (pH = 7.4)
4.157707
Log P
5.404353
Molar Refractivity
88.6914
Polarizability
35.115906
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
false
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