2-Acetyl-3,4,7-trihydroxy-6-methoxybenzo[f][1]benzofuran-5,8-dione
PubChem CID: 162878710
Connections displayed (default: 10).
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| Topological Polar Surface Area | 134.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 609.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-acetyl-3,4,7-trihydroxy-6-methoxybenzo[f][1]benzofuran-5,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSQMWQGLJKEASG-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.55 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.411 |
| Compound Name | 2-Acetyl-3,4,7-trihydroxy-6-methoxybenzo[f][1]benzofuran-5,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 318.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4196346173913037 |
| Inchi | InChI=1S/C15H10O8/c1-4(16)14-12(20)8-6(23-14)3-5-7(10(8)18)11(19)15(22-2)13(21)9(5)17/h3,18,20-21H,1-2H3 |
| Smiles | CC(=O)C1=C(C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Onobrychis Ebenoides (Plant) Rel Props:Source_db:cmaup_ingredients