5-(benzenesulfonyl)-6-[(E)-2-phenylethenyl]oxan-2-one
Formula:C19H18O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(benzenesulfonyl)-6-[(E)-2-phenylethenyl]oxan-2-one is a drug-like molecule.
| MolName | 5-(benzenesulfonyl)-6-[(E)-2-phenylethenyl]oxan-2-one |
| MolecularFormula | C19H18O4S |
| Smiles | O=C(CCC1S(c2ccccc2)(=O)=O)OC1/C=C/c1ccccc1 |
| InChI | InChI=1S/C19H18O4S/c20-19-14-13-18(24(21,22)16-9-5-2-6-10-16)17(23-19)12-11-15-7-3-1-4-8-15/h1-12,17-18H,13-14H2 |
| InChIK | NNEURMOBBDOWNZ-UHFFFAOYSA-N |
| TotalMolweight | 342.414 |
| Molweight | 342.414 |
| MonoisotopicMass | 342.09258 |
| CLogP | 2.6566 |
| CLogS | -4.368 |
| H Acceptors | 4 |
| TotalSurfaceArea | 254.87 |
| Relative PSA | 0.20253 |
| PolarSurfaceArea | 68.82 |
| Druglikeness | -11.31 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon | unknown chirality |
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