N'-[(E)-(5-bromothiophen-2-yl)methylideneamino]oxamide
Formula:C7H6N3O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-(5-bromothiophen-2-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(E)-(5-bromothiophen-2-yl)methylideneamino]oxamide |
| MolecularFormula | C7H6N3O2BrS |
| Smiles | NC(C(N/N=C/c(s1)ccc1Br)=O)=O |
| InChI | InChI=1S/C7H6BrN3O2S/c8-5-2-1-4(14-5)3-10-11-7(13)6(9)12/h1-3H,(H2,9,12)(H,11,13) |
| InChIK | MNFJPTYRQQRWMN-UHFFFAOYSA-N |
| TotalMolweight | 276.114 |
| Molweight | 276.114 |
| MonoisotopicMass | 274.936408 |
| CLogP | 0.8802 |
| CLogS | -2.963 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 168.07 |
| Relative PSA | 0.50384 |
| PolarSurfaceArea | 112.79 |
| Druglikeness | 0.075436 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| StereoCon |
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