Molecule

ID:76191

General Information
Structure
Molecular Formula
C₁₃H₂₂Cl₂N₂O₂
Molecular Mass
309.23198
Exact Mass
308.10583331
Charge
0
InChI
InChI=1S/C13H20N2O2.2ClH/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15;;/h2-5,13H,6-10,14H2,1H3;2*1H
InChIKey
WPVKYGDKEXSIQL-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N1CCOCC1.Cl.Cl
Isomeric Smiles
N1(C(c2ccc(cc2)OC)CN)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1454191
LogD (pH = 7.4)
-0.76821417
Log P
0.80125415
Molar Refractivity
67.7584
Polarizability
26.907635
Polar Surface Area
47.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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