Molecule

ID:50405

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c13-10-6-9(11(14)15)12(10)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKey
AGSSMEKQKSIIJF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N1Cc1ccccc1
Isomeric Smiles
N1(C(=O)CC1C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8344257
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8991353
LogD (pH = 7.4)
-2.4764156
Log P
0.76981825
Molar Refractivity
52.8421
Polarizability
20.556973
Polar Surface Area
57.61
Rotatable Bonds
3
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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