| MolName | [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 2,4-difluorobenzenesulfonate |
| MolecularFormula | C16H10N2O5F2S |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2OS(c(ccc(F)c2)c2F)(=O)=O)NC1=O |
| InChI | InChI=1S/C16H10F2N2O5S/c17-10-3-6-14(12(18)8-10)26(23,24)25-11-4-1-9(2-5-11)7-13-15(21)20-16(22)19-13/h1-8H,(H2,19,20,21,22) |
| InChIK | IBLLLBVKWOGDOM-UHFFFAOYSA-N |
| TotalMolweight | 380.326 |
| Molweight | 380.326 |
| MonoisotopicMass | 380.027849 |
| CLogP | 1.9488 |
| CLogS | -4.138 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 253.93 |
| Relative PSA | 0.3449 |
| PolarSurfaceArea | 109.95 |
| Druglikeness | 1.7825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 2,4-difluorobenzenesulfonate | 2 - [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 2,4-difluorobenzenesulfonate