N-(3-chlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C13H10N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C13H10N3O2ClS |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C13H10ClN3O2S/c14-9-3-1-4-10(7-9)16-12(18)13(19)17-15-8-11-5-2-6-20-11/h1-8H,(H,16,18)(H,17,19) |
| InChIK | YCVAGDYKBFFBHR-UHFFFAOYSA-N |
| TotalMolweight | 307.76 |
| Molweight | 307.76 |
| MonoisotopicMass | 307.018224 |
| CLogP | 2.6165 |
| CLogS | -4.271 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.56 |
| Relative PSA | 0.35538 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.2062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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