(4E)-4-[[4-(difluoromethylsulfanyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C17H14N4OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[[4-(difluoromethylsulfanyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is not a drug-like molecule.
| MolName | (4E)-4-[[4-(difluoromethylsulfanyl)phenyl]hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C17H14N4OF2S |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2SC(F)F)NN1c1ccccc1 |
| InChI | InChI=1S/C17H14F2N4OS/c1-11-15(16(24)23(22-11)13-5-3-2-4-6-13)21-20-12-7-9-14(10-8-12)25-17(18)19/h2-10,17,20,22H,1H2 |
| InChIK | QNAPVNFHVULCDP-UHFFFAOYSA-N |
| TotalMolweight | 360.387 |
| Molweight | 360.387 |
| MonoisotopicMass | 360.085637 |
| CLogP | 5.077 |
| CLogS | -4.491 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.9 |
| Relative PSA | 0.26462 |
| PolarSurfaceArea | 82.03 |
| Druglikeness | -1.1626 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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