Molecule

ID:46482

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-5-12(11)15-9-10-6-7-13-8-10;/h2-5,10,13H,6-9H2,1H3;1H
InChIKey
YPIGKEFNRFVMMR-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2c(OC)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8803228
LogD (pH = 7.4)
-1.7217127
Log P
1.3592503
Molar Refractivity
59.259
Polarizability
23.528791
Polar Surface Area
30.49
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
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