Molecule

ID:118482

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-6(13)9-5-12-10-3-2-7(11(14)15)4-8(9)10/h2-5,12H,1H3,(H,14,15)
InChIKey
MEYLFQCWVDJSQU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c(c[nH]2)C(=O)C
Isomeric Smiles
c1(c2cc(C(=O)O)ccc2[nH]c1)C(=O)C
Calculated Properties
JChem
Acid pKa
3.965879
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.25502887
LogD (pH = 7.4)
-1.8910748
Log P
1.2872382
Molar Refractivity
54.8035
Polarizability
21.597197
Polar Surface Area
70.16
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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