Mol Weight - 166.223
Smiles - CCC(C)c1cncc(OC)n1
| Property Name | Property Value |
| Mol Name | 2-sec-butyl-6-methoxypyrazine |
| Molweight | 166.223 |
| Monoisotopic Mass | 166.110613 |
| Clogp | 1.6346 |
| Clogs | -1.734 |
| H Acceptors | 3 |
| Total Surface Area | 143.82 |
| Relative Psa | 0.22208 |
| Polar Surface Area | 35.01 |
| Druglikeness | -0.85796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.48256 |
| Molecular Complexity | 0.63444 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Aromatic Nitrogens | 2 |
| Smiles | CCC(C)c1cncc(OC)n1 |
| InChIKey | InChI=1S/C9H14N2O/c1-4-7(2)8-5-10-6-9(11-8)12-3/h5-7H,4H2,1-3H3 |
| InChI | CRSGGIZVNCNYRT-UHFFFAOYSA-N |
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1 — 2-sec-butyl-6-methoxypyrazine | 2 — 2-sec-butyl-6-methoxypyrazine