4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Formula:C7H6N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.
| MolName | 4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione |
| MolecularFormula | C7H6N4OS |
| Smiles | S=C(NN=C1)N1/N=C\c1ccco1 |
| InChI | InChI=1S/C7H6N4OS/c13-7-10-8-5-11(7)9-4-6-2-1-3-12-6/h1-5H,(H,10,13) |
| InChIK | HCOVGQWJYXPDFK-UHFFFAOYSA-N |
| TotalMolweight | 194.218 |
| Molweight | 194.218 |
| MonoisotopicMass | 194.026231 |
| CLogP | 0.8372 |
| CLogS | -3.132 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 153.44 |
| Relative PSA | 0.52229 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 3.4636 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
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