Molecule

ID:47079

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c1-11(16)13-4-2-3-5-14(13)17-10-12-6-8-15-9-7-12;/h2-5,12,15H,6-10H2,1H3;1H
InChIKey
SAAKWQXSSPDVPX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1OCC1CCNCC1.Cl
Isomeric Smiles
c1(C(=O)C)c(OCC2CCNCC2)cccc1.Cl
Calculated Properties
JChem
Acid pKa
15.624576
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7511368
LogD (pH = 7.4)
-1.224429
Log P
1.477581
Molar Refractivity
67.8984
Polarizability
26.58885
Polar Surface Area
38.33
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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