Molecule

ID:24209

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂O₃
Molecular Mass
337.24208
Exact Mass
336.10074793
Charge
0
InChI
InChI=1S/C14H20N2O3.2ClH/c1-19-13-5-3-2-4-12(13)16-10-8-15(9-11-16)7-6-14(17)18;;/h2-5H,6-11H2,1H3,(H,17,18);2*1H
InChIKey
FOHTUASVFUPVCK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCN(CC1)CCC(=O)O.Cl.Cl
Isomeric Smiles
c1(N2CCN(CC2)CCC(=O)O)c(cccc1)OC.Cl.Cl
Calculated Properties
JChem
Acid pKa
3.3049684
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.231322
LogD (pH = 7.4)
-1.3040961
Log P
-1.2320735
Molar Refractivity
73.7839
Polarizability
28.195646
Polar Surface Area
53.01
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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