Molecule

ID:11649

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₄
Molecular Mass
219.19346
Exact Mass
219.05315777
Charge
0
InChI
InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)8(11(14)15)5-10(13)12-9/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
ATQXNYQCZFMIKY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(cc(n2)O)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)O)ccc(c2)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.553825
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.018317744
LogD (pH = 7.4)
-1.4369707
Log P
1.9217043
Molar Refractivity
55.9931
Polarizability
22.406204
Polar Surface Area
79.65
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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