5-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H9N3O2BrCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H9N3O2BrCl3 |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1ccc(-c(cc(c(Cl)c2)Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H9BrCl3N3O2/c18-10-3-9(6-22-7-10)17(25)24-23-8-11-1-2-16(26-11)12-4-14(20)15(21)5-13(12)19/h1-8H,(H,24,25) |
| InChIK | IPCYAKFDBFHUDV-UHFFFAOYSA-N |
| TotalMolweight | 473.54 |
| Molweight | 473.54 |
| MonoisotopicMass | 470.894369 |
| CLogP | 5.6828 |
| CLogS | -7.428 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.09 |
| Relative PSA | 0.20357 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.7037 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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