(4Z)-1-phenyl-4-[[2-(trifluoromethyl)phenyl]methylidene]pyrazolidine-3,5-dione
Formula:C17H11N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-1-phenyl-4-[[2-(trifluoromethyl)phenyl]methylidene]pyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-1-phenyl-4-[[2-(trifluoromethyl)phenyl]methylidene]pyrazolidine-3,5-dione |
| MolecularFormula | C17H11N2O2F3 |
| Smiles | O=C(/C(/C1=O)=C/c2c(C(F)(F)F)cccc2)NN1c1ccccc1 |
| InChI | InChI=1S/C17H11F3N2O2/c18-17(19,20)14-9-5-4-6-11(14)10-13-15(23)21-22(16(13)24)12-7-2-1-3-8-12/h1-10H,(H,21,23) |
| InChIK | IUSFFNMADAHVQX-UHFFFAOYSA-N |
| TotalMolweight | 332.28 |
| Molweight | 332.28 |
| MonoisotopicMass | 332.077262 |
| CLogP | 2.1919 |
| CLogS | -3.668 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.95 |
| Relative PSA | 0.17792 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | -3.0837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-1-phenyl-4-[[2-(trifluoromethyl)phenyl]methylidene]pyrazolidine-3,5-dione | 2 - (4Z)-1-phenyl-4-[[2-(trifluoromethyl)phenyl]methylidene]pyrazolidine-3,5-dione
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