Molecule

ID:24067

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-12(2)7-10-6-9(8-13)4-5-11(10)14-3;/h4-6,8H,7H2,1-3H3;1H
InChIKey
JAPSQQRHIZHRHY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN(C)C)C=O.Cl
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)CN(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.13076586
LogD (pH = 7.4)
1.2948738
Log P
1.4694737
Molar Refractivity
57.6479
Polarizability
21.784437
Polar Surface Area
29.54
Rotatable Bonds
4
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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