Molecule

ID:10808

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂O₂
Molecular Mass
323.25856
Exact Mass
322.12148338
Charge
0
InChI
InChI=1S/C14H22N2O2.2ClH/c1-12-3-2-4-14(9-12)18-11-13(17)10-16-7-5-15-6-8-16;;/h2-4,9,13,15,17H,5-8,10-11H2,1H3;2*1H
InChIKey
PAADAKHBVDPYDD-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCNCC1)COc1cccc(c1)C.Cl.Cl
Isomeric Smiles
N1(CC(COc2cc(ccc2)C)O)CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.078938
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9884499
LogD (pH = 7.4)
-0.6586246
Log P
1.1813772
Molar Refractivity
72.2994
Polarizability
28.604925
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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