N-(2-bromophenyl)-N'-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]oxamide
Formula:C13H9N4O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N'-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)-N'-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]oxamide |
| MolecularFormula | C13H9N4O4BrS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc(cccc2)c2Br)=O)=O)s1)=O |
| InChI | InChI=1S/C13H9BrN4O4S/c14-9-3-1-2-4-10(9)16-12(19)13(20)17-15-7-8-5-6-11(23-8)18(21)22/h1-7H,(H,16,19)(H,17,20) |
| InChIK | BYMHEDVTHAAUFH-UHFFFAOYSA-N |
| TotalMolweight | 397.208 |
| Molweight | 397.208 |
| MonoisotopicMass | 395.952787 |
| CLogP | 2.0037 |
| CLogS | -4.979 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 254.44 |
| Relative PSA | 0.43739 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | -2.071 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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