(4Z)-4-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C23H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C23H17N2O3Br |
| Smiles | O=C(/C(/C1=O)=C/c2cccc(OCc(cc3)ccc3Br)c2)NN1c1ccccc1 |
| InChI | InChI=1S/C23H17BrN2O3/c24-18-11-9-16(10-12-18)15-29-20-8-4-5-17(13-20)14-21-22(27)25-26(23(21)28)19-6-2-1-3-7-19/h1-14H,15H2,(H,25,27) |
| InChIK | ZJWYVTOZAMABHI-UHFFFAOYSA-N |
| TotalMolweight | 449.303 |
| Molweight | 449.303 |
| MonoisotopicMass | 448.042254 |
| CLogP | 3.4169 |
| CLogS | -5.065 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.64 |
| Relative PSA | 0.16826 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 2.0161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-4-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
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