Molecule

ID:35520

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKey
RFCHXXFHULMCDW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(cc1)C
Isomeric Smiles
C(=O)(CNc1ccc(cc1)C)OCC
Calculated Properties
JChem
Acid pKa
17.032745
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9397409
LogD (pH = 7.4)
1.9401257
Log P
1.9401307
Molar Refractivity
56.8953
Polarizability
21.361076
Polar Surface Area
38.33
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
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Molecule Details
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References
Bioactivity
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