N-[(Z)-pyridin-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C14H10N3O2Br3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-pyridin-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C14H10N3O2Br3 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C14H10Br3N3O2/c15-9-5-11(16)14(12(17)6-9)22-8-13(21)20-19-7-10-3-1-2-4-18-10/h1-7H,8H2,(H,20,21) |
| InChIK | ZCPHVJGFIFHGGK-UHFFFAOYSA-N |
| TotalMolweight | 491.964 |
| Molweight | 491.964 |
| MonoisotopicMass | 488.83231 |
| CLogP | 4.0052 |
| CLogS | -5.232 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.4 |
| Relative PSA | 0.21469 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.4066 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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