Molecule

ID:47384

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-14-4-2-12(3-5-14)10-17-11-13-6-8-15-9-7-13;/h2-5,13,15H,6-11H2,1H3;1H
InChIKey
ALIHTYOUOPVZGW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COCc2ccc(cc2)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4357113
LogD (pH = 7.4)
-0.97495663
Log P
1.7957102
Molar Refractivity
69.0627
Polarizability
27.224722
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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