Molecule

ID:59629

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₅
Molecular Mass
234.2048
Exact Mass
234.05282342
Charge
0
InChI
InChI=1S/C12H10O5/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
SGCOMUOACCXIKH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
c12oc(=O)cc(c1ccc(c2)OCC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.196544
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8774725
LogD (pH = 7.4)
-2.0429826
Log P
1.4030663
Molar Refractivity
58.3784
Polarizability
22.482994
Polar Surface Area
72.83
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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