| MolName | (5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C15H8N2O3ClFS |
| Smiles | O=C(/C(/C(N1c(cc2)ccc2F)=O)=C/c(s2)ccc2Cl)NC1=O |
| InChI | InChI=1S/C15H8ClFN2O3S/c16-12-6-5-10(23-12)7-11-13(20)18-15(22)19(14(11)21)9-3-1-8(17)2-4-9/h1-7H,(H,18,20,22) |
| InChIK | CBTFHPQKIMQSHK-UHFFFAOYSA-N |
| TotalMolweight | 350.757 |
| Molweight | 350.757 |
| MonoisotopicMass | 349.992818 |
| CLogP | 2.9335 |
| CLogS | -4.964 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.95 |
| Relative PSA | 0.31437 |
| PolarSurfaceArea | 94.72 |
| Druglikeness | 4.4216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione