N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]pyridine-3-carboxamide
Formula:C11H7N3O2BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C11H7N3O2BrI |
| Smiles | O=C(c1cnccc1)N/N=C\c(o1)cc(Br)c1I |
| InChI | InChI=1S/C11H7BrIN3O2/c12-9-4-8(18-10(9)13)6-15-16-11(17)7-2-1-3-14-5-7/h1-6H,(H,16,17) |
| InChIK | QOURHDPWPUALMT-UHFFFAOYSA-N |
| TotalMolweight | 420 |
| Molweight | 420 |
| MonoisotopicMass | 418.876636 |
| CLogP | 2.6491 |
| CLogS | -4.221 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.35 |
| Relative PSA | 0.27724 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -0.4677 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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