Molecule

ID:56225

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₃
Molecular Mass
217.22064
Exact Mass
217.07389322
Charge
0
InChI
InChI=1S/C12H11NO3/c1-7(14)12-11(13-8(2)15)9-5-3-4-6-10(9)16-12/h3-6H,1-2H3,(H,13,15)
InChIKey
KNEXUVWFSJOVDU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1c(oc2c1cccc2)C(=O)C
Isomeric Smiles
c1(c(oc2c1cccc2)C(=O)C)NC(=O)C
Calculated Properties
JChem
Acid pKa
11.227889
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4977275
LogD (pH = 7.4)
1.4976668
Log P
1.4977282
Molar Refractivity
60.0424
Polarizability
23.331009
Polar Surface Area
59.31
Rotatable Bonds
2
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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