1-hydroxythioxanthen-9-one
Formula:C13H8O2S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
1-hydroxythioxanthen-9-one is a drug-like molecule.
| MolName | 1-hydroxythioxanthen-9-one |
| MolecularFormula | C13H8O2S |
| Smiles | Oc1cccc(Sc2c3cccc2)c1C3=O |
| InChI | InChI=1S/C13H8O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,14H |
| InChIK | OEZKDMYTQDZSAZ-UHFFFAOYSA-N |
| TotalMolweight | 228.271 |
| Molweight | 228.271 |
| MonoisotopicMass | 228.0245 |
| CLogP | 3.4134 |
| CLogS | -4.12 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 161.11 |
| Relative PSA | 0.27081 |
| PolarSurfaceArea | 62.6 |
| Druglikeness | -0.46776 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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