Molecule

ID:13843

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄Cl₂N₂O₂
Molecular Mass
359.29066
Exact Mass
358.12148338
Charge
0
InChI
InChI=1S/C17H22N2O2.2ClH/c20-15(12-19-10-8-18-9-11-19)13-21-17-7-3-5-14-4-1-2-6-16(14)17;;/h1-7,15,18,20H,8-13H2;2*1H
InChIKey
ZHLITNHZMLBWBE-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCNCC1)COc1cccc2c1cccc2.Cl.Cl
Isomeric Smiles
c12c(OCC(CN3CCNCC3)O)cccc1cccc2.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.078899
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5227832
LogD (pH = 7.4)
-0.18991007
Log P
1.6574326
Molar Refractivity
83.7084
Polarizability
34.38969
Polar Surface Area
44.73
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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