Molecule

ID:29554

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₂ClNO₂
Molecular Mass
367.86858
Exact Mass
367.13390663
Charge
0
InChI
InChI=1S/C22H22ClNO2/c1-17-14-19(23)10-11-22(17)25-13-12-24-20-8-5-9-21(15-20)26-16-18-6-3-2-4-7-18/h2-11,14-15,24H,12-13,16H2,1H3
InChIKey
FTAPHEBDXLQOHU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)OCCNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCNc1cc(OCc2ccccc2)ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.7675085
LogD (pH = 7.4)
5.774255
Log P
5.7743416
Molar Refractivity
107.7258
Polarizability
41.157368
Polar Surface Area
30.49
Rotatable Bonds
8
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