3,6-dihydroxyxanthen-9-one
Formula:C13H8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,6-dihydroxyxanthen-9-one is a drug-like molecule.
| MolName | 3,6-dihydroxyxanthen-9-one |
| MolecularFormula | C13H8O4 |
| Smiles | Oc(cc1)cc(Oc2c3ccc(O)c2)c1C3=O |
| InChI | InChI=1S/C13H8O4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14-15H |
| InChIK | POARTHFLPKAZBQ-UHFFFAOYSA-N |
| TotalMolweight | 228.203 |
| Molweight | 228.203 |
| MonoisotopicMass | 228.04226 |
| CLogP | 2.6752 |
| CLogS | -4.335 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 159.97 |
| Relative PSA | 0.30781 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -1.0781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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