Molecule

ID:30709

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂O₃
Molecular Mass
339.25796
Exact Mass
338.116398
Charge
0
InChI
InChI=1S/C14H22N2O3.2ClH/c1-18-13-2-4-14(5-3-13)19-11-12(17)10-16-8-6-15-7-9-16;;/h2-5,12,15,17H,6-11H2,1H3;2*1H
InChIKey
ZADUTRKVQJSDQU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCC(CN1CCNCC1)O.Cl.Cl
Isomeric Smiles
N1(CC(COc2ccc(cc2)OC)O)CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.078938
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.656685
LogD (pH = 7.4)
-1.3277253
Log P
0.5102845
Molar Refractivity
73.7214
Polarizability
29.356192
Polar Surface Area
53.96
Rotatable Bonds
6
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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