Molecule

ID:47949

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂O
Molecular Mass
299.28022
Exact Mass
298.15786889
Charge
0
InChI
InChI=1S/C13H26N2O.2ClH/c1-15(10-12-4-7-16-8-5-12)11-13-3-2-6-14-9-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
WEOULIXNGUUUBF-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCOCC1)CC1CCCNC1.Cl.Cl
Isomeric Smiles
N1CC(CN(CC2CCOCC2)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.4707565
LogD (pH = 7.4)
-3.528011
Log P
0.757872
Molar Refractivity
68.1572
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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