Molecule

ID:46739

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClINO
Molecular Mass
367.65353
Exact Mass
367.01998991
Charge
0
InChI
InChI=1S/C13H18INO.ClH/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11;/h1-4,11,15H,5-10H2;1H
InChIKey
OQUXIUSFRAWWFI-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2c(I)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.016092842
LogD (pH = 7.4)
0.44029713
Log P
3.215493
Molar Refractivity
75.5361
Polarizability
29.730707
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
4-[2-(2-Iodophenoxy)ethyl]piperidine hydrochloride|4-[2-(2-iodophenoxy)ethyl]piperidine hydrochloride|4-[2-(2-iodophenoxy)ethyl]piperidine hydrochloride | Molfinder