| MolName | 2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C24H17N3O4ClF |
| Smiles | O=C(COc(ccc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C24H17ClFN3O4/c25-18-13-15(12-17-23(31)28-29(24(17)32)16-6-2-1-3-7-16)10-11-21(18)33-14-22(30)27-20-9-5-4-8-19(20)26/h1-13H,14H2,(H,27,30)(H,28,31) |
| InChIK | WLIPGGXJNMWAKY-UHFFFAOYSA-N |
| TotalMolweight | 465.867 |
| Molweight | 465.867 |
| MonoisotopicMass | 465.089162 |
| CLogP | 2.7728 |
| CLogS | -5.232 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 335.99 |
| Relative PSA | 0.22498 |
| PolarSurfaceArea | 87.74 |
| Druglikeness | 3.1902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide | 2 - 2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide