3-iodo-N-[(Z)-2,2,2-trichloroethylideneamino]thiophene-2-carboxamide
Formula:C7H4N2OCl3IS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
3-iodo-N-[(Z)-2,2,2-trichloroethylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-iodo-N-[(Z)-2,2,2-trichloroethylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C7H4N2OCl3IS |
| Smiles | O=C(c(scc1)c1I)N/N=C\C(Cl)(Cl)Cl |
| InChI | InChI=1S/C7H4Cl3IN2OS/c8-7(9,10)3-12-13-6(14)5-4(11)1-2-15-5/h1-3H,(H,13,14) |
| InChIK | DFMJWJQCQLWDIH-UHFFFAOYSA-N |
| TotalMolweight | 397.447 |
| Molweight | 397.447 |
| MonoisotopicMass | 395.815462 |
| CLogP | 3.1951 |
| CLogS | -4.7 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.12 |
| Relative PSA | 0.27348 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 5.715 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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