N-[(Z)-benzylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C14H14N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C14H14N3O |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C14H13N3O/c18-14(12-17-9-5-2-6-10-17)16-15-11-13-7-3-1-4-8-13/h1-11H,12H2/p+1 |
| InChIK | VATDYCFUFPWCRK-UHFFFAOYSA-O |
| TotalMolweight | 240.285 |
| Molweight | 240.285 |
| MonoisotopicMass | 240.113687 |
| CLogP | -2.2283 |
| CLogS | -2.056 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 198.05 |
| Relative PSA | 0.19576 |
| PolarSurfaceArea | 45.34 |
| 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 | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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