Molecule

ID:46296

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c1-12(17)14-6-2-3-7-15(14)18-10-8-13-5-4-9-16-11-13;/h2-3,6-7,13,16H,4-5,8-11H2,1H3;1H
InChIKey
OPDJFLNDFBACNE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1OCCC1CCCNC1.Cl
Isomeric Smiles
c1(C(=O)C)c(OCCC2CNCCC2)cccc1.Cl
Calculated Properties
JChem
Acid pKa
15.624945
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.310201
LogD (pH = 7.4)
-0.87476057
Log P
1.9221497
Molar Refractivity
72.4994
Polarizability
28.432547
Polar Surface Area
38.33
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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