(4E)-4-[(4-bromo-3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one
Formula:C10H8N4OBrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-bromo-3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(4-bromo-3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one |
| MolecularFormula | C10H8N4OBrCl |
| Smiles | C=C(/C1=N\Nc(cc2)cc(Cl)c2Br)NNC1=O |
| InChI | InChI=1S/C10H8BrClN4O/c1-5-9(10(17)16-13-5)15-14-6-2-3-7(11)8(12)4-6/h2-4,13-14H,1H2,(H,16,17) |
| InChIK | GDEIJXHWAGJANR-UHFFFAOYSA-N |
| TotalMolweight | 315.558 |
| Molweight | 315.558 |
| MonoisotopicMass | 313.956999 |
| CLogP | 2.5453 |
| CLogS | -3.882 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 191.66 |
| Relative PSA | 0.30747 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -0.41773 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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