4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Formula:C11H10N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.
| MolName | 4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione |
| MolecularFormula | C11H10N4S |
| Smiles | S=C(NN=C1)N1/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C11H10N4S/c16-11-14-12-9-15(11)13-8-4-7-10-5-2-1-3-6-10/h1-9H,(H,14,16) |
| InChIK | CQZGBEUPORXQLS-UHFFFAOYSA-N |
| TotalMolweight | 230.294 |
| Molweight | 230.294 |
| MonoisotopicMass | 230.062616 |
| CLogP | 1.6668 |
| CLogS | -3.742 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 190.25 |
| Relative PSA | 0.34707 |
| PolarSurfaceArea | 72.08 |
| Druglikeness | 3.7573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
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