N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C13H10N3O2BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C13H10N3O2BrS |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C13H10BrN3O2S/c14-9-3-5-10(6-4-9)16-12(18)13(19)17-15-8-11-2-1-7-20-11/h1-8H,(H,16,18)(H,17,19) |
| InChIK | JMTKWVCMIPTPQZ-UHFFFAOYSA-N |
| TotalMolweight | 352.211 |
| Molweight | 352.211 |
| MonoisotopicMass | 350.967708 |
| CLogP | 2.7357 |
| CLogS | -4.369 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 230.77 |
| Relative PSA | 0.35044 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 3.3893 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.7 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
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