| MolName | (5E)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H17N2O5F |
| Smiles | Oc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cccc2)c2OCc(cccc2)c2F)=O)C1=O |
| InChI | InChI=1S/C24H17FN2O5/c25-20-7-3-1-6-16(20)14-32-21-8-4-2-5-15(21)13-19-22(29)26-24(31)27(23(19)30)17-9-11-18(28)12-10-17/h1-13,28H,14H2,(H,26,29,31) |
| InChIK | JKOBDRMKMTVJRA-UHFFFAOYSA-N |
| TotalMolweight | 432.406 |
| Molweight | 432.406 |
| MonoisotopicMass | 432.112151 |
| CLogP | 3.2586 |
| CLogS | -5.246 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 315.46 |
| Relative PSA | 0.24482 |
| PolarSurfaceArea | 95.94 |
| Druglikeness | 3.1984 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione