Molecule

ID:48204

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂O
Molecular Mass
299.28022
Exact Mass
298.15786889
Charge
0
InChI
InChI=1S/C13H26N2O.2ClH/c1-15(10-12-5-8-16-9-6-12)11-13-4-2-3-7-14-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
DRZIPRLQIPCVHB-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCCCN1)CC1CCOCC1.Cl.Cl
Isomeric Smiles
N1C(CN(CC2CCOCC2)C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.888814
LogD (pH = 7.4)
-1.5373389
Log P
1.1576861
Molar Refractivity
67.8182
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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