N-[(Z)-thiophen-3-ylmethylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
Formula:C13H9N2O2Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-thiophen-3-ylmethylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-3-ylmethylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide |
| MolecularFormula | C13H9N2O2Cl3S |
| Smiles | O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1cscc1 |
| InChI | InChI=1S/C13H9Cl3N2O2S/c14-9-3-10(15)13(16)11(4-9)20-6-12(19)18-17-5-8-1-2-21-7-8/h1-5,7H,6H2,(H,18,19) |
| InChIK | IEWWFZLOVADWMN-UHFFFAOYSA-N |
| TotalMolweight | 363.651 |
| Molweight | 363.651 |
| MonoisotopicMass | 361.945029 |
| CLogP | 4.3789 |
| CLogS | -5.609 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.95 |
| Relative PSA | 0.26238 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 4.8145 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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