Molecule

ID:28818

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁Cl₂NO₂
Molecular Mass
354.27084
Exact Mass
353.09493428
Charge
0
InChI
InChI=1S/C18H21Cl2NO2/c1-22-16-7-4-14(5-8-16)13-21-10-2-3-11-23-18-9-6-15(19)12-17(18)20/h4-9,12,21H,2-3,10-11,13H2,1H3
InChIKey
SSDJXGKDJKZAIZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCCCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCCCNCc1ccc(cc1)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5951531
LogD (pH = 7.4)
2.4308107
Log P
4.803385
Molar Refractivity
95.441
Polarizability
37.5949
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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