N-(2,5-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C13H9N3O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C13H9N3O2Cl2S |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C13H9Cl2N3O2S/c14-8-3-4-10(15)11(6-8)17-12(19)13(20)18-16-7-9-2-1-5-21-9/h1-7H,(H,17,19)(H,18,20) |
| InChIK | QUCDEELFGASPRD-UHFFFAOYSA-N |
| TotalMolweight | 342.205 |
| Molweight | 342.205 |
| MonoisotopicMass | 340.979251 |
| CLogP | 3.2225 |
| CLogS | -5.007 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.98 |
| Relative PSA | 0.33283 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.2062 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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