N-[(Z)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
Formula:C11H9N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide |
| MolecularFormula | C11H9N3O3 |
| Smiles | [O-][n+]1cccc(C(N/N=C\c2ccco2)=O)c1 |
| InChI | InChI=1S/C11H9N3O3/c15-11(9-3-1-5-14(16)8-9)13-12-7-10-4-2-6-17-10/h1-8H,(H,13,15) |
| InChIK | ZNZZIWXJRIEQEU-UHFFFAOYSA-N |
| TotalMolweight | 231.21 |
| Molweight | 231.21 |
| MonoisotopicMass | 231.064392 |
| CLogP | 0.9139 |
| CLogS | -4.992 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 178.73 |
| Relative PSA | 0.36021 |
| PolarSurfaceArea | 80.06 |
| Druglikeness | 2.8079 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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