Molecule

ID:35853

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₄
Molecular Mass
216.18952
Exact Mass
216.04225874
Charge
0
InChI
InChI=1S/C12H8O4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H,(H,14,15)
InChIKey
LBIJVLPGGBXNPM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccc(cc1)C(=O)O
Isomeric Smiles
c1(oc(cc1)C=O)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.8915627
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3569754
LogD (pH = 7.4)
-1.2471256
Log P
1.9708042
Molar Refractivity
57.3028
Polarizability
22.374964
Polar Surface Area
67.51
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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