Molecule

ID:20883

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H17NO2.ClH/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12;/h4-7,12-13H,2-3,8-9H2,1H3;1H
InChIKey
UJTAWPLIQXOITO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2ccc(cc2)OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4116923
LogD (pH = 7.4)
-0.3053584
Log P
1.7590644
Molar Refractivity
58.92
Polarizability
23.526104
Polar Surface Area
30.49
Rotatable Bonds
3
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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