Molecule

ID:24980

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c1-2-17-13(16)11-10(8-14-12(11)15)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,14,15)
InChIKey
QVGUCCHRJMBKNX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C(=O)NCC1c1ccccc1
Isomeric Smiles
C1(C(=O)NCC1c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.185184
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3898808
LogD (pH = 7.4)
1.389811
Log P
1.1565484
Molar Refractivity
62.6339
Polarizability
24.473333
Polar Surface Area
55.4
Rotatable Bonds
4
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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