3-(benzenesulfonyl)-7-hydroxychromen-2-one
Formula:C15H10O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-7-hydroxychromen-2-one |
| MolecularFormula | C15H10O5S |
| Smiles | Oc(cc1)cc(OC2=O)c1C=C2S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H10O5S/c16-11-7-6-10-8-14(15(17)20-13(10)9-11)21(18,19)12-4-2-1-3-5-12/h1-9,16H |
| InChIK | WMNPQFZDBBSKIO-UHFFFAOYSA-N |
| TotalMolweight | 302.305 |
| Molweight | 302.305 |
| MonoisotopicMass | 302.024895 |
| CLogP | 1.5231 |
| CLogS | -3.645 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.91 |
| Relative PSA | 0.31279 |
| PolarSurfaceArea | 89.05 |
| Druglikeness | -10.711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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