N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C14H8N2O3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C14H8N2O3Br2 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C14H8Br2N2O3/c15-10-6-9(20-13(10)16)7-17-18-14(19)12-5-8-3-1-2-4-11(8)21-12/h1-7H,(H,18,19) |
| InChIK | NTDKGOORPVNMQP-UHFFFAOYSA-N |
| TotalMolweight | 412.037 |
| Molweight | 412.037 |
| MonoisotopicMass | 409.890165 |
| CLogP | 4.4437 |
| CLogS | -6.017 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.23 |
| Relative PSA | 0.26961 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | -0.68868 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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