(2Z)-2-[(4-hydroxyphenyl)methylidene]-1,1-dioxo-1-benzothiophen-3-one
Formula:C15H10O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[(4-hydroxyphenyl)methylidene]-1,1-dioxo-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-hydroxyphenyl)methylidene]-1,1-dioxo-1-benzothiophen-3-one |
| MolecularFormula | C15H10O4S |
| Smiles | Oc1ccc(/C=C(/C(c2c3cccc2)=O)\S3(=O)=O)cc1 |
| InChI | InChI=1S/C15H10O4S/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)20(14,18)19/h1-9,16H |
| InChIK | HHPXLMPPMMNOLL-UHFFFAOYSA-N |
| TotalMolweight | 286.306 |
| Molweight | 286.306 |
| MonoisotopicMass | 286.02998 |
| CLogP | 1.8902 |
| CLogS | -4.029 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 196.91 |
| Relative PSA | 0.27789 |
| PolarSurfaceArea | 79.82 |
| Druglikeness | 1.0875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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