Molecule

ID:112690

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKey
AKQWEDMTPCAESO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)N1CCOCC1
Isomeric Smiles
CC(=O)c1ccc(cc1)N1CCOCC1
Calculated Properties
JChem
Acid pKa
16.5611
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4204357
LogD (pH = 7.4)
1.4204367
Log P
1.4204367
Molar Refractivity
59.9639
Polarizability
22.52882
Polar Surface Area
29.54
Rotatable Bonds
2
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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