3,5-dibromo-2-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Formula:C12H7N3O5Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3,5-dibromo-2-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3,5-dibromo-2-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H7N3O5Br2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(Br)cc(Br)c2O)=O)o1)=O |
| InChI | InChI=1S/C12H7Br2N3O5/c13-6-3-8(11(18)9(14)4-6)12(19)16-15-5-7-1-2-10(22-7)17(20)21/h1-5,18H,(H,16,19) |
| InChIK | HMAZXRHOIQHPNI-UHFFFAOYSA-N |
| TotalMolweight | 433.012 |
| Molweight | 433.012 |
| MonoisotopicMass | 430.875244 |
| CLogP | 2.9248 |
| CLogS | -5.76 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 243.96 |
| Relative PSA | 0.38383 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 1.2682 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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