3-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyridazine-6-thione
Formula:C12H9N4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyridazine-6-thione is a drug-like molecule.
| MolName | 3-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyridazine-6-thione |
| MolecularFormula | C12H9N4F3S |
| Smiles | FC(c1c(/C=N\NC(C=C2)=NNC2=S)cccc1)(F)F |
| InChI | InChI=1S/C12H9F3N4S/c13-12(14,15)9-4-2-1-3-8(9)7-16-17-10-5-6-11(20)19-18-10/h1-7H,(H,17,18)(H,19,20) |
| InChIK | GFJDNBSKEHWOKE-UHFFFAOYSA-N |
| TotalMolweight | 298.291 |
| Molweight | 298.291 |
| MonoisotopicMass | 298.05 |
| CLogP | 2.0052 |
| CLogS | -4.735 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 219.08 |
| Relative PSA | 0.3375 |
| PolarSurfaceArea | 80.87 |
| Druglikeness | -4.6621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyridazine-6-thione | 2 - 3-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyridazine-6-thione
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