Molecule

ID:28769

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉Cl₂NO₂
Molecular Mass
352.25496
Exact Mass
351.07928421
Charge
0
InChI
InChI=1S/C18H19Cl2NO2/c19-14-8-13(9-15(20)10-14)11-21-17-5-1-2-6-18(17)23-12-16-4-3-7-22-16/h1-2,5-6,8-10,16,21H,3-4,7,11-12H2
InChIKey
KPNYBCFHPKZZKL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(CNc2ccccc2OCC2CCCO2)cc(c1)Cl
Isomeric Smiles
N(c1c(OCC2OCCC2)cccc1)Cc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
18.990078
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.616684
LogD (pH = 7.4)
4.6392093
Log P
4.639504
Molar Refractivity
95.1919
Polarizability
36.492455
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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