Molecule

ID:120232

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₅
Molecular Mass
234.2048
Exact Mass
234.05282342
Charge
0
InChI
InChI=1S/C12H10O5/c1-15-7-3-4-8-9(13)6-11(12(14)16-2)17-10(8)5-7/h3-6H,1-2H3
InChIKey
CWTIPLWFXBVCSU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(cc2=O)C(=O)OC
Isomeric Smiles
c1(cc(=O)c2c(o1)cc(cc2)OC)C(=O)OC
Calculated Properties
JChem
Acid pKa
12.204668
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5186632
LogD (pH = 7.4)
1.5186627
Log P
1.5186632
Molar Refractivity
59.8257
Polarizability
22.639921
Polar Surface Area
61.83
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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