(4Z)-4-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C23H16N2O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C23H16N2O3BrF |
| Smiles | O=C(/C(/C1=O)=C/c(cc2)cc(Br)c2OCc(cccc2)c2F)NN1c1ccccc1 |
| InChI | InChI=1S/C23H16BrFN2O3/c24-19-13-15(10-11-21(19)30-14-16-6-4-5-9-20(16)25)12-18-22(28)26-27(23(18)29)17-7-2-1-3-8-17/h1-13H,14H2,(H,26,28) |
| InChIK | QXTBUVDOXVWRQM-UHFFFAOYSA-N |
| TotalMolweight | 467.293 |
| Molweight | 467.293 |
| MonoisotopicMass | 466.032832 |
| CLogP | 3.5177 |
| CLogS | -5.379 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.99 |
| Relative PSA | 0.16481 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 0.67608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
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