Molecule

ID:20509

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂Cl₂N₂O
Molecular Mass
329.26468
Exact Mass
328.11091869
Charge
0
InChI
InChI=1S/C16H20N2O.2ClH/c1-13-12-15(8-9-16(13)17)19-11-10-18(2)14-6-4-3-5-7-14;;/h3-9,12H,10-11,17H2,1-2H3;2*1H
InChIKey
LFGAVHJJWWFSKK-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1)CCOc1ccc(c(c1)C)N.Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)OCCN(c1ccccc1)C)N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3047392
LogD (pH = 7.4)
3.4083438
Log P
3.4098346
Molar Refractivity
80.7804
Polarizability
30.19072
Polar Surface Area
38.49
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
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Molecule Details
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References
Bioactivity
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