Molecule

ID:55681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂O₂
Molecular Mass
283.1947
Exact Mass
282.09018325
Charge
0
InChI
InChI=1S/C11H18N2O2.2ClH/c1-2-11(15-7-1)10-12-3-4-13-5-8-14-9-6-13;;/h1-2,7,12H,3-6,8-10H2;2*1H
InChIKey
RDTRNAJVCPGVHJ-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CCNCc1ccco1.Cl.Cl
Isomeric Smiles
N1(CCNCc2occc2)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.155852
LogD (pH = 7.4)
-0.40331215
Log P
0.39198536
Molar Refractivity
58.7905
Polarizability
23.096922
Polar Surface Area
37.64
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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