Molecule

ID:76715

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H17NO2.ClH/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10;/h4-7,11H,3,8,13H2,1-2H3;1H
InChIKey
QFMZCYZEPUYABQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(c1ccc(cc1)C)N.Cl
Isomeric Smiles
O=C(CC(c1ccc(cc1)C)N)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9814464
LogD (pH = 7.4)
0.40959528
Log P
1.8899008
Molar Refractivity
59.5445
Polarizability
23.587894
Polar Surface Area
52.32
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
No Data Available
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Molecule Details
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References
Bioactivity
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