4-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Formula:C10H8N4OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.
| MolName | 4-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione |
| MolecularFormula | C10H8N4OF2S |
| Smiles | FC(Oc1ccc(/C=N\N(C=NN2)C2=S)cc1)F |
| InChI | InChI=1S/C10H8F2N4OS/c11-9(12)17-8-3-1-7(2-4-8)5-14-16-6-13-15-10(16)18/h1-6,9H,(H,15,18) |
| InChIK | KZIGPWAWOUDSAD-UHFFFAOYSA-N |
| TotalMolweight | 270.263 |
| Molweight | 270.263 |
| MonoisotopicMass | 270.038687 |
| CLogP | 1.8179 |
| CLogS | -4.072 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 198.95 |
| Relative PSA | 0.38216 |
| PolarSurfaceArea | 81.31 |
| Druglikeness | 0.77674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
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