2-(4-bromo-2,6-difluorophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C14H10N3O2BrF2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromo-2,6-difluorophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromo-2,6-difluorophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C14H10N3O2BrF2 |
| Smiles | O=C(COc(c(F)cc(Br)c1)c1F)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H10BrF2N3O2/c15-10-4-11(16)14(12(17)5-10)22-8-13(21)20-19-7-9-2-1-3-18-6-9/h1-7H,8H2,(H,20,21) |
| InChIK | HBULWNLCOSOVSW-UHFFFAOYSA-N |
| TotalMolweight | 370.152 |
| Molweight | 370.152 |
| MonoisotopicMass | 368.992444 |
| CLogP | 2.7024 |
| CLogS | -4.168 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 240.84 |
| Relative PSA | 0.23659 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.0666 |
| Mutagenic | low |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(4-bromo-2,6-difluorophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(4-bromo-2,6-difluorophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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