Mol Weight - 182.178
Smiles - Cc1c[n+]([O-])c(C)c(C)c1[N+]([O-])=O
| Property Name | Property Value |
| Mol Name | 2,3,5-Trimethyl-4-Nitropyridine-1-Oxide |
| Molweight | 182.178 |
| Monoisotopic Mass | 182.069143 |
| Clogp | 0.3473 |
| Clogs | -4.721 |
| H Acceptors | 5 |
| Total Surface Area | 135.76 |
| Relative Psa | 0.32911 |
| Polar Surface Area | 71.28 |
| Druglikeness | -7.6962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.32005 |
| Molecular Complexity | 0.74622 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 2 |
| Smiles | Cc1c[n+]([O-])c(C)c(C)c1[N+]([O-])=O |
| InChIKey | InChI=1S/C8H10N2O3/c1-5-4-9(11)7(3)6(2)8(5)10(12)13/h4H,1-3H3 |
| InChI | YMBLTOGTYNFTRX-UHFFFAOYSA-N |
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1 — 2,3,5-Trimethyl-4-Nitropyridine-1-Oxide | 2 — 2,3,5-Trimethyl-4-Nitropyridine-1-Oxide