3-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Formula:C12H9N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H9N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(O)ccc2)=O)o1)=O |
| InChI | InChI=1S/C12H9N3O5/c16-9-3-1-2-8(6-9)12(17)14-13-7-10-4-5-11(20-10)15(18)19/h1-7,16H,(H,14,17) |
| InChIK | XVRFNOKUGJDJGC-UHFFFAOYSA-N |
| TotalMolweight | 275.219 |
| Molweight | 275.219 |
| MonoisotopicMass | 275.054222 |
| CLogP | 1.4744 |
| CLogS | -4.092 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 206.7 |
| Relative PSA | 0.45302 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 3.0582 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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