Molecule

ID:126637

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO₂
Molecular Mass
292.20146
Exact Mass
291.07928421
Charge
0
InChI
InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3
InChIKey
XYCMOTOFHFTUIU-UHFFFAOYSA-N
Canonic Smiles
OC(COc1cc(Cl)ccc1Cl)CNC(C)(C)C
Isomeric Smiles
Clc1ccc(Cl)cc1OCC(O)CNC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.0875
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.11937414
LogD (pH = 7.4)
0.77450955
Log P
3.0828853
Molar Refractivity
74.6233
Polarizability
29.819096
Polar Surface Area
41.49
Rotatable Bonds
6
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
References
Bioactivity
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