4-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
Formula:C12H8N2O2Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H8N2O2Br2 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c(o1)ccc1Br |
| InChI | InChI=1S/C12H8Br2N2O2/c13-9-3-1-8(2-4-9)12(17)16-15-7-10-5-6-11(14)18-10/h1-7H,(H,16,17) |
| InChIK | PQFWDFZECKFSDM-UHFFFAOYSA-N |
| TotalMolweight | 372.016 |
| Molweight | 372.016 |
| MonoisotopicMass | 369.89525 |
| CLogP | 3.9381 |
| CLogS | -4.834 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.94 |
| Relative PSA | 0.23427 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 3.1683 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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