Molecule

ID:66673

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
VZOVOHRDLOYBJX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(=O)CC1)OCc1ccccc1
Isomeric Smiles
N1(CCC(=O)CC1)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
18.640947
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7437913
LogD (pH = 7.4)
1.7437913
Log P
1.7437913
Molar Refractivity
62.9709
Polarizability
24.470201
Polar Surface Area
46.61
Rotatable Bonds
3
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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