2,3,4-trihydroxyxanthen-9-one
Formula:C13H8O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,4-trihydroxyxanthen-9-one is a drug-like molecule.
| MolName | 2,3,4-trihydroxyxanthen-9-one |
| MolecularFormula | C13H8O5 |
| Smiles | Oc(c(O)c1O)cc2c1Oc(cccc1)c1C2=O |
| InChI | InChI=1S/C13H8O5/c14-8-5-7-10(15)6-3-1-2-4-9(6)18-13(7)12(17)11(8)16/h1-5,14,16-17H |
| InChIK | WAZRUXBJQIYYGI-UHFFFAOYSA-N |
| TotalMolweight | 244.202 |
| Molweight | 244.202 |
| MonoisotopicMass | 244.037175 |
| CLogP | 2.3295 |
| CLogS | -4.039 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 166.32 |
| Relative PSA | 0.37482 |
| PolarSurfaceArea | 86.99 |
| Druglikeness | -1.0781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - 2,3,4-trihydroxyxanthen-9-one | 2 - 2,3,4-trihydroxyxanthen-9-one
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