Molecule

ID:55240

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₂N₃O₃
Molecular Mass
352.25672
Exact Mass
351.11164697
Charge
0
InChI
InChI=1S/C14H21N3O3.2ClH/c1-19-11-3-4-13(20-2)12(9-11)16-14(18)10-17-7-5-15-6-8-17;;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);2*1H
InChIKey
MOEGGMXNJBBWCY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)CN1CCNCC1)OC.Cl.Cl
Isomeric Smiles
c1(NC(=O)CN2CCNCC2)cc(ccc1OC)OC.Cl.Cl
Calculated Properties
JChem
Acid pKa
11.784603
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.7677488
LogD (pH = 7.4)
-1.2670479
Log P
0.25118378
Molar Refractivity
78.0318
Polarizability
29.941826
Polar Surface Area
62.83
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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