Molecule

ID:29237

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₂ClNO₂
Molecular Mass
367.86858
Exact Mass
367.13390663
Charge
0
InChI
InChI=1S/C22H22ClNO2/c1-25-22-12-11-19(15-20(22)23)24-16-18-9-5-6-10-21(18)26-14-13-17-7-3-2-4-8-17/h2-12,15,24H,13-14,16H2,1H3
InChIKey
JFPATHMPJYOCMD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NCc1ccccc1OCCc1ccccc1
Isomeric Smiles
c1(cc(NCc2c(OCCc3ccccc3)cccc2)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.4364157
LogD (pH = 7.4)
5.4718623
Log P
5.4723334
Molar Refractivity
107.9632
Polarizability
41.183334
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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