1-hydroxy-3-phenylmethoxyxanthen-9-one
Formula:C20H14O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-hydroxy-3-phenylmethoxyxanthen-9-one is a drug-like molecule.
| MolName | 1-hydroxy-3-phenylmethoxyxanthen-9-one |
| MolecularFormula | C20H14O4 |
| Smiles | Oc1cc(OCc2ccccc2)cc(Oc2c3cccc2)c1C3=O |
| InChI | InChI=1S/C20H14O4/c21-16-10-14(23-12-13-6-2-1-3-7-13)11-18-19(16)20(22)15-8-4-5-9-17(15)24-18/h1-11,21H,12H2 |
| InChIK | QBSUFELWFJWENM-UHFFFAOYSA-N |
| TotalMolweight | 318.327 |
| Molweight | 318.327 |
| MonoisotopicMass | 318.08921 |
| CLogP | 4.369 |
| CLogS | -5.972 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.14 |
| Relative PSA | 0.19457 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -1.317 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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