Molecule

ID:30096

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂O₃
Molecular Mass
339.25796
Exact Mass
338.116398
Charge
0
InChI
InChI=1S/C14H22N2O3.2ClH/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-16-6-4-15-5-7-16;;/h8-9,15H,4-7,10H2,1-3H3;2*1H
InChIKey
XIRALXKCBGTYSC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CN2CCNCC2)cc(c1OC)OC.Cl.Cl
Isomeric Smiles
c1(c(cc(cc1OC)CN1CCNCC1)OC)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.21859
LogD (pH = 7.4)
-0.90319556
Log P
0.90570045
Molar Refractivity
74.7457
Polarizability
29.411772
Polar Surface Area
42.96
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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