Molecule

ID:53560

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂O
Molecular Mass
293.23258
Exact Mass
292.11091869
Charge
0
InChI
InChI=1S/C13H20N2O.2ClH/c16-9-6-13-10-14-7-8-15(13)11-12-4-2-1-3-5-12;;/h1-5,13-14,16H,6-11H2;2*1H
InChIKey
DCLIWRPPOGBDJO-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)C(CCO)CNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.921757
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4937272
LogD (pH = 7.4)
-1.0450456
Log P
0.808339
Molar Refractivity
66.184
Polarizability
26.176823
Polar Surface Area
35.5
Rotatable Bonds
4
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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