Molecule

ID:46297

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)14-7-2-3-8-15(14)18-11-9-13-6-4-5-10-16-13;/h2-3,7-8,13,16H,4-6,9-11H2,1H3;1H
InChIKey
CDQSPDZYFNRIMA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
c1(C(=O)C)c(OCCC2NCCCC2)cccc1.Cl
Calculated Properties
JChem
Acid pKa
15.624883
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2424545
LogD (pH = 7.4)
-0.5764088
Log P
1.9789116
Molar Refractivity
72.326
Polarizability
28.432545
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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