Molecule

ID:78648

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₃
Molecular Mass
221.2524
Exact Mass
221.10519335
Charge
0
InChI
InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)13-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey
WGQGYKSFMHBSCC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccc(c(c1)C)C
Isomeric Smiles
N(c1ccc(c(c1)C)C)C(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.910381
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9334269
LogD (pH = 7.4)
2.933301
Log P
2.9334285
Molar Refractivity
62.316
Polarizability
23.195644
Polar Surface Area
55.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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