1-oxido-N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-1-ium-4-carboxamide
Formula:C12H10N4O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-oxido-N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | 1-oxido-N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-1-ium-4-carboxamide |
| MolecularFormula | C12H10N4O2 |
| Smiles | [O-][n+](cc1)ccc1C(N/N=C\c1ncccc1)=O |
| InChI | InChI=1S/C12H10N4O2/c17-12(10-4-7-16(18)8-5-10)15-14-9-11-3-1-2-6-13-11/h1-9H,(H,15,17) |
| InChIK | IPBUEDVAIFDVKJ-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 0.7783 |
| CLogS | -4.539 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 187.8 |
| Relative PSA | 0.32609 |
| PolarSurfaceArea | 79.81 |
| Druglikeness | 3.0434 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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