Molecule

ID:55272

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂O
Molecular Mass
293.23258
Exact Mass
292.11091869
Charge
0
InChI
InChI=1S/C13H20N2O.2ClH/c1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15;;/h2-5,12H,6-10,14H2,1H3;2*1H
InChIKey
AYWOWWURQSPNLD-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CN1CCC(CC1)N.Cl.Cl
Isomeric Smiles
N1(Cc2c(OC)cccc2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.9486578
LogD (pH = 7.4)
-2.0393965
Log P
0.9681491
Molar Refractivity
66.4457
Polarizability
26.23433
Polar Surface Area
38.49
Rotatable Bonds
3
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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