Molecule

ID:25010

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₅
Molecular Mass
220.17822
Exact Mass
220.03717336
Charge
0
InChI
InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
InChIKey
SFAPWVZFUHJZIC-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(=O)c(c2)C(=O)O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0063884
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2438189
LogD (pH = 7.4)
-2.2608974
Log P
1.2129314
Molar Refractivity
54.0861
Polarizability
20.660362
Polar Surface Area
72.83
Rotatable Bonds
2
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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