| MolName | (4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C25H18N3O2F |
| Smiles | O=C(/C(/C1=O)=C/c2cn(Cc3cccc(F)c3)c3c2cccc3)NN1c1ccccc1 |
| InChI | InChI=1S/C25H18FN3O2/c26-19-8-6-7-17(13-19)15-28-16-18(21-11-4-5-12-23(21)28)14-22-24(30)27-29(25(22)31)20-9-2-1-3-10-20/h1-14,16H,15H2,(H,27,30) |
| InChIK | IWTPAEZYMBJXBG-UHFFFAOYSA-N |
| TotalMolweight | 411.435 |
| Molweight | 411.435 |
| MonoisotopicMass | 411.138305 |
| CLogP | 2.9741 |
| CLogS | -4.182 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.16 |
| Relative PSA | 0.15716 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.9814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione