Molecule

ID:11464

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₅
Molecular Mass
232.18892
Exact Mass
232.03717336
Charge
0
InChI
InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-9(12(15)16)10(14)5-7/h1-6,14H,(H,15,16)
InChIKey
BKNVVYRQMKQLFC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccc(c(c1)O)C(=O)O
Isomeric Smiles
c1(c(cc(c2oc(cc2)C=O)cc1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6103146
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.48338187
LogD (pH = 7.4)
-1.1890167
Log P
2.3172388
Molar Refractivity
59.2837
Polarizability
23.009363
Polar Surface Area
87.74
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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