Molecule

ID:67648

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey
ULOLIZHBYWAICY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNCc1ccccc1
Isomeric Smiles
C(=O)(CNCc1ccccc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9640043
LogD (pH = 7.4)
1.4986222
Log P
1.51228
Molar Refractivity
54.9083
Polarizability
21.823345
Polar Surface Area
38.33
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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