2-(3-chlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H11N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H11N2O2ClS |
| Smiles | O=C(COc1cccc(Cl)c1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H11ClN2O2S/c14-10-3-1-4-11(7-10)18-9-13(17)16-15-8-12-5-2-6-19-12/h1-8H,9H2,(H,16,17) |
| InChIK | PTXJLXLQFFSTEZ-UHFFFAOYSA-N |
| TotalMolweight | 294.761 |
| Molweight | 294.761 |
| MonoisotopicMass | 294.022975 |
| CLogP | 3.2491 |
| CLogS | -4.247 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.11 |
| Relative PSA | 0.29882 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 5.8831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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