Molecule

ID:47047

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅ClN₂O
Molecular Mass
284.8248
Exact Mass
284.16554111
Charge
0
InChI
InChI=1S/C15H24N2O.ClH/c1-3-17(4-2)13-6-5-7-15(12-13)18-14-8-10-16-11-9-14;/h5-7,12,14,16H,3-4,8-11H2,1-2H3;1H
InChIKey
DWZSUAWGYTWPEW-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OC1CCNCC1)CC.Cl
Isomeric Smiles
c1c(N(CC)CC)cccc1OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9947024
LogD (pH = 7.4)
-0.08301783
Log P
2.2809925
Molar Refractivity
76.6034
Polarizability
29.531467
Polar Surface Area
24.5
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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