N-[(Z)-pyridin-3-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide
Formula:C14H11N4OBr3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide |
| MolecularFormula | C14H11N4OBr3 |
| Smiles | O=C(CNc(c(Br)cc(Br)c1)c1Br)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H11Br3N4O/c15-10-4-11(16)14(12(17)5-10)19-8-13(22)21-20-7-9-2-1-3-18-6-9/h1-7,19H,8H2,(H,21,22) |
| InChIK | IDFLWAMSGJJIRB-UHFFFAOYSA-N |
| TotalMolweight | 490.98 |
| Molweight | 490.98 |
| MonoisotopicMass | 487.848294 |
| CLogP | 3.6682 |
| CLogS | -5.25 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.86 |
| Relative PSA | 0.21899 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 3.2401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-3-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-2-(2,4,6-tribromoanilino)acetamide
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