Molecule

ID:15806

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂O
Molecular Mass
293.23258
Exact Mass
292.11091869
Charge
0
InChI
InChI=1S/C13H20N2O.2ClH/c14-7-10-16-13-6-2-1-5-12(13)11-15-8-3-4-9-15;;/h1-2,5-6H,3-4,7-11,14H2;2*1H
InChIKey
SELRKWGIYLFFCU-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccccc1CN1CCCC1.Cl.Cl
Isomeric Smiles
C(c1c(cccc1)OCCN)N1CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.6224585
LogD (pH = 7.4)
-1.8120157
Log P
1.365785
Molar Refractivity
66.5547
Polarizability
26.234089
Polar Surface Area
38.49
Rotatable Bonds
5
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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