Molecule

ID:28773

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈Cl₃NO
Molecular Mass
358.68992
Exact Mass
357.04539724
Charge
0
InChI
InChI=1S/C17H18Cl3NO/c18-14-7-8-17(16(20)11-14)22-10-4-3-9-21-12-13-5-1-2-6-15(13)19/h1-2,5-8,11,21H,3-4,9-10,12H2
InChIKey
YQBOIHAEFINMOK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCCCNCc1ccccc1Cl
Isomeric Smiles
c1(cc(ccc1OCCCCNCc1c(Cl)cccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4699814
LogD (pH = 7.4)
3.8336694
Log P
5.5651007
Molar Refractivity
93.7826
Polarizability
36.952843
Polar Surface Area
21.26
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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