N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
Formula:C11H8N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide |
| MolecularFormula | C11H8N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cc2)cc[n+]2[O-])=O)o1)=O |
| InChI | InChI=1S/C11H8N4O5/c16-11(8-3-5-14(17)6-4-8)13-12-7-9-1-2-10(20-9)15(18)19/h1-7H,(H,13,16) |
| InChIK | GZVHDPQRCXMIIU-UHFFFAOYSA-N |
| TotalMolweight | 276.208 |
| Molweight | 276.208 |
| MonoisotopicMass | 276.049471 |
| CLogP | 0.3437 |
| CLogS | -5.977 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 202.4 |
| Relative PSA | 0.46838 |
| PolarSurfaceArea | 125.88 |
| Druglikeness | 3.0702 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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