Molecule

ID:30155

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKey
CUYFVLXHUGFIPJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(c(=O)[nH]2)C=O
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)cc(cc2)OC)C=O
Calculated Properties
JChem
Acid pKa
13.411791
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8680979
LogD (pH = 7.4)
0.8680975
Log P
0.8680979
Molar Refractivity
56.8913
Polarizability
20.598131
Polar Surface Area
55.4
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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