Molecule

ID:121059

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀Cl₂N₂O₂
Molecular Mass
307.2161
Exact Mass
306.09018325
Charge
0
InChI
InChI=1S/C13H18N2O2.2ClH/c1-17-12-4-2-11(3-5-12)13(16)10-15-8-6-14-7-9-15;;/h2-5,14H,6-10H2,1H3;2*1H
InChIKey
NFULXFQPDMCUBT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)CN1CCNCC1.Cl.Cl
Isomeric Smiles
C(=O)(CN1CCNCC1)c1ccc(cc1)OC.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.207624
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.359811
LogD (pH = 7.4)
-0.97976166
Log P
0.7287922
Molar Refractivity
67.1084
Polarizability
26.268478
Polar Surface Area
41.57
Rotatable Bonds
4
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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