4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C12H9N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C12H9N2OBrS |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cscc1 |
| InChI | InChI=1S/C12H9BrN2OS/c13-11-3-1-10(2-4-11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,(H,15,16) |
| InChIK | OCVBEPJPEXKFJG-UHFFFAOYSA-N |
| TotalMolweight | 309.186 |
| Molweight | 309.186 |
| MonoisotopicMass | 307.961894 |
| CLogP | 3.7112 |
| CLogS | -4.455 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 201.56 |
| Relative PSA | 0.27967 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 3.1276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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