Molecule

ID:13506

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂Cl₂N₂O
Molecular Mass
329.26468
Exact Mass
328.11091869
Charge
0
InChI
InChI=1S/C16H20N2O.2ClH/c1-19-13-5-10-18-16(14-6-3-2-4-7-14)15-8-11-17-12-9-15;;/h2-4,6-9,11-12,16,18H,5,10,13H2,1H3;2*1H
InChIKey
ZSYSLVZLWNANBV-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(c1ccncc1)c1ccccc1.Cl.Cl
Isomeric Smiles
c1cc(ccc1)C(c1ccncc1)NCCCOC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8805398
LogD (pH = 7.4)
0.6549771
Log P
2.1111467
Molar Refractivity
77.3408
Polarizability
30.472103
Polar Surface Area
34.15
Rotatable Bonds
7
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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