N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C14H9N3O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C14H9N3O2ClF3S |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)Nc(cc1)cc(C(F)(F)F)c1Cl |
| InChI | InChI=1S/C14H9ClF3N3O2S/c15-11-4-3-8(6-10(11)14(16,17)18)20-12(22)13(23)21-19-7-9-2-1-5-24-9/h1-7H,(H,20,22)(H,21,23) |
| InChIK | MDYHQDCKEPYORD-UHFFFAOYSA-N |
| TotalMolweight | 375.757 |
| Molweight | 375.757 |
| MonoisotopicMass | 375.005608 |
| CLogP | 3.4648 |
| CLogS | -5.049 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.02 |
| Relative PSA | 0.31464 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | -1.9838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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