2-(4-bromophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C13H10N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C13H10N3O4Br |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cc(cc2)ccc2Br)=O)o1)=O |
| InChI | InChI=1S/C13H10BrN3O4/c14-10-3-1-9(2-4-10)7-12(18)16-15-8-11-5-6-13(21-11)17(19)20/h1-6,8H,7H2,(H,16,18) |
| InChIK | QERPWYWJQBRAAC-UHFFFAOYSA-N |
| TotalMolweight | 352.143 |
| Molweight | 352.143 |
| MonoisotopicMass | 350.985468 |
| CLogP | 2.5434 |
| CLogS | -5.187 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 232.74 |
| Relative PSA | 0.34605 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.2698 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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