Molecule

ID:69351

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
InChIKey
FZUGPQWGEGAKET-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N(C)C
Isomeric Smiles
C(=O)(c1ccc(cc1)N(C)C)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.44
LogD (pH = 5.5)
2.44
Log P
2.44
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.90
Polar Surface Area
29.54
Polarizability
21.90
Molar Refractivity
57.26
LOG S
-1.93
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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