Molecule

ID:36433

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₅
Molecular Mass
232.18892
Exact Mass
232.03717336
Charge
0
InChI
InChI=1S/C12H8O5/c1-7(14)17-9-2-3-11-10(4-9)12(15)8(5-13)6-16-11/h2-6H,1H3
InChIKey
LEBXNPPDAKBRIZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(cc2)OC(=O)C
Isomeric Smiles
c1(ccc2c(c1)c(=O)c(co2)C=O)OC(=O)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.70536834
LogD (pH = 7.4)
0.70536834
Log P
0.70536834
Molar Refractivity
57.5694
Polarizability
22.027168
Polar Surface Area
69.67
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
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References
Bioactivity
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