(4Z)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C20H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C20H14N3O2F |
| Smiles | O=C(/C(/C1=O)=C/c2cccn2-c(cccc2)c2F)NN1c1ccccc1 |
| InChI | InChI=1S/C20H14FN3O2/c21-17-10-4-5-11-18(17)23-12-6-9-15(23)13-16-19(25)22-24(20(16)26)14-7-2-1-3-8-14/h1-13H,(H,22,25) |
| InChIK | LKWSZKLDUYYHPL-UHFFFAOYSA-N |
| TotalMolweight | 347.348 |
| Molweight | 347.348 |
| MonoisotopicMass | 347.107005 |
| CLogP | 1.6833 |
| CLogS | -5.541 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.8 |
| Relative PSA | 0.18676 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.3168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
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