(2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-thiophen-2-ylethanone
Formula:C18H13N2O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-thiophen-2-ylethanone is a drug-like molecule.
| MolName | (2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-thiophen-2-ylethanone |
| MolecularFormula | C18H13N2O3BrS2 |
| Smiles | O=C(/C(/S(c1ccccc1)(=O)=O)=N\Nc(cc1)ccc1Br)c1cccs1 |
| InChI | InChI=1S/C18H13BrN2O3S2/c19-13-8-10-14(11-9-13)20-21-18(17(22)16-7-4-12-25-16)26(23,24)15-5-2-1-3-6-15/h1-12,20H |
| InChIK | WLRSSXQTQRTADL-UHFFFAOYSA-N |
| TotalMolweight | 449.348 |
| Molweight | 449.348 |
| MonoisotopicMass | 447.955094 |
| CLogP | 4.4283 |
| CLogS | -4.784 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.11 |
| Relative PSA | 0.29485 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | -6.2929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-thiophen-2-ylethanone | 2 - (2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-thiophen-2-ylethanone
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