Molecule

ID:47978

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂O
Molecular Mass
299.28022
Exact Mass
298.15786889
Charge
0
InChI
InChI=1S/C13H26N2O.2ClH/c1-15(10-12-2-6-14-7-3-12)11-13-4-8-16-9-5-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
SVWZEYVTPDVYSG-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCOCC1)CC1CCNCC1.Cl.Cl
Isomeric Smiles
N1CCC(CN(CC2CCOCC2)C)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.0098095
LogD (pH = 7.4)
-5.2162905
Log P
0.71631527
Molar Refractivity
68.256
Polarizability
26.967915
Polar Surface Area
24.5
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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