Mol Weight - 122.127
Smiles - ON=Cc1ncccc1
| Property Name | Property Value |
| Mol Name | 2-Pyridinecarbaldehydeoxime |
| Molweight | 122.127 |
| Monoisotopic Mass | 122.048013 |
| Clogp | 1.2674 |
| Clogs | -1.544 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 103.13 |
| Relative Psa | 0.345 |
| Polar Surface Area | 45.48 |
| Druglikeness | -0.95128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.38173 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | ON=Cc1ncccc1 |
| InChIKey | InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H |
| InChI | MTFJSAGADRTKCI-UHFFFAOYSA-N |
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1 — 2-Pyridinecarbaldehydeoxime | 2 — 2-Pyridinecarbaldehydeoxime