N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-3-nitrobenzamide
Formula:C12H8N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C12H8N3O4Br |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(o2)ccc2Br)=O)c1)=O |
| InChI | InChI=1S/C12H8BrN3O4/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17) |
| InChIK | JPDVMWXQBVNVLB-UHFFFAOYSA-N |
| TotalMolweight | 338.117 |
| Molweight | 338.117 |
| MonoisotopicMass | 336.969818 |
| CLogP | 2.2913 |
| CLogS | -4.46 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 218.98 |
| Relative PSA | 0.3678 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -1.92 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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