(4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one
Formula:C10H9N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one |
| MolecularFormula | C10H9N4OBr |
| Smiles | C=C(/C1=N\Nc(cc2)ccc2Br)NNC1=O |
| InChI | InChI=1S/C10H9BrN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5,12-13H,1H2,(H,15,16) |
| InChIK | RHWUALOKIHGMSM-UHFFFAOYSA-N |
| TotalMolweight | 281.112 |
| Molweight | 281.112 |
| MonoisotopicMass | 279.995972 |
| CLogP | 1.9393 |
| CLogS | -3.146 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 176.24 |
| Relative PSA | 0.33437 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -0.43788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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