2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C13H13N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C13H13N4O |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H12N4O/c18-13(11-17-7-2-1-3-8-17)16-15-10-12-5-4-6-14-9-12/h1-10H,11H2/p+1 |
| InChIK | KQGNWYQZRCWDBA-UHFFFAOYSA-O |
| TotalMolweight | 241.273 |
| Molweight | 241.273 |
| MonoisotopicMass | 241.108936 |
| CLogP | -3.2292 |
| CLogS | -1.261 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 196.81 |
| Relative PSA | 0.25273 |
| PolarSurfaceArea | 58.23 |
| Druglikeness | 4.067 |
| Mutagenic | none |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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