(2E)-5-nitro-N-(4-nitrophenyl)furan-2-carbohydrazonoyl bromide
Formula:C11H7N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-5-nitro-N-(4-nitrophenyl)furan-2-carbohydrazonoyl bromide is a drug-like molecule.
| MolName | (2E)-5-nitro-N-(4-nitrophenyl)furan-2-carbohydrazonoyl bromide |
| MolecularFormula | C11H7N4O5Br |
| Smiles | [O-][N+](c1ccc(/C(/Br)=N\Nc(cc2)ccc2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C11H7BrN4O5/c12-11(9-5-6-10(21-9)16(19)20)14-13-7-1-3-8(4-2-7)15(17)18/h1-6,13H |
| InChIK | UELKTEFIPOWQKY-UHFFFAOYSA-N |
| TotalMolweight | 355.104 |
| Molweight | 355.104 |
| MonoisotopicMass | 353.959982 |
| CLogP | 2.6587 |
| CLogS | -5.44 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 223.11 |
| Relative PSA | 0.43889 |
| PolarSurfaceArea | 129.17 |
| Druglikeness | -5.6131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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