Molecule

ID:46479

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-13-4-2-3-5-14(13)17-11-8-12-6-9-15-10-7-12;/h2-5,12,15H,6-11H2,1H3;1H
InChIKey
IILOZZBKAJSYBC-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2c(OC)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1027086
LogD (pH = 7.4)
-0.6463186
Log P
2.1288772
Molar Refractivity
68.6368
Polarizability
27.216017
Polar Surface Area
30.49
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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