Molecule

ID:15809

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆Cl₂N₂O
Molecular Mass
321.28574
Exact Mass
320.14221882
Charge
0
InChI
InChI=1S/C15H24N2O.2ClH/c1-16-14-7-5-10-17(12-14)11-9-13-6-3-4-8-15(13)18-2;;/h3-4,6,8,14,16H,5,7,9-12H2,1-2H3;2*1H
InChIKey
DRSMRNDPDSUQMJ-UHFFFAOYSA-N
Canonic Smiles
CNC1CCCN(C1)CCc1ccccc1OC.Cl.Cl
Isomeric Smiles
C1C(CN(CC1)CCc1ccccc1OC)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9835736
LogD (pH = 7.4)
-0.4973808
Log P
2.1467936
Molar Refractivity
75.7545
Polarizability
29.850283
Polar Surface Area
24.5
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
No Data Available
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Molecule Details
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References
Bioactivity
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