3-bromo-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]benzamide
Formula:C12H8N2OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H8N2OBr2S |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C12H8Br2N2OS/c13-9-3-1-2-8(4-9)12(17)16-15-6-11-5-10(14)7-18-11/h1-7H,(H,16,17) |
| InChIK | WUMJPRLWEGHVOT-UHFFFAOYSA-N |
| TotalMolweight | 388.083 |
| Molweight | 388.083 |
| MonoisotopicMass | 385.872405 |
| CLogP | 4.5186 |
| CLogS | -5.399 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.19 |
| Relative PSA | 0.25601 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.1614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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