N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]pyridine-4-carboxamide
Formula:C11H7N3O2Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C11H7N3O2Br2 |
| Smiles | O=C(c1ccncc1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C11H7Br2N3O2/c12-9-5-8(18-10(9)13)6-15-16-11(17)7-1-3-14-4-2-7/h1-6H,(H,16,17) |
| InChIK | XIQNODKKEBEUIM-UHFFFAOYSA-N |
| TotalMolweight | 373.004 |
| Molweight | 373.004 |
| MonoisotopicMass | 370.890499 |
| CLogP | 2.9372 |
| CLogS | -4.039 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.7 |
| Relative PSA | 0.28721 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -0.90666 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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