4-bromo-N-[(Z)-quinoxalin-6-ylmethylideneamino]benzamide
Formula:C16H11N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-quinoxalin-6-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-quinoxalin-6-ylmethylideneamino]benzamide |
| MolecularFormula | C16H11N4OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cc2nccnc2cc1 |
| InChI | InChI=1S/C16H11BrN4O/c17-13-4-2-12(3-5-13)16(22)21-20-10-11-1-6-14-15(9-11)19-8-7-18-14/h1-10H,(H,21,22) |
| InChIK | DKSSXGFTZNCTDE-UHFFFAOYSA-N |
| TotalMolweight | 355.194 |
| Molweight | 355.194 |
| MonoisotopicMass | 354.011622 |
| CLogP | 3.3644 |
| CLogS | -4.361 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.74 |
| Relative PSA | 0.24375 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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