Chemical Name - 3-(5-cyano-6-oxo-1,6-dihydropyridin-2-yl)pyridine1-oxide
Mol Weight - 213.196
Smiles - N#CC1=CC=C(c2c[n+]([O-])ccc2)NC1=O
Mol Weight - 213.196
Smiles - N#CC1=CC=C(c2c[n+]([O-])ccc2)NC1=O
| Property Value | |
| Mol Name | 3-(5-cyano-6-oxo-1,6-dihydropyridin-2-yl)pyridine1-oxide |
| Molweight | 213.196 |
| Monoisotopic Mass | 213.053827 |
| Clogp | -0.1915 |
| Clogs | -4.05 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 162.15 |
| Relative Psa | 0.32266 |
| Polar Surface Area | 78.35 |
| Druglikeness | -2.331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.36548 |
| Molecular Complexity | 0.72232 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | N#CC1=CC=C(c2c[n+]([O-])ccc2)NC1=O |
| InChIKey | InChI=1S/C11H7N3O2/c12-6-8-3-4-10(13-11(8)15)9-2-1-5-14(16)7-9/h1-5,7H,(H,13,15) |
| InChI | RGLOZRBAITXJPI-UHFFFAOYSA-N |
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