Mol Weight - 151.189
Smiles - c1csc(-c2nocc2)c1
| Property Name | Property Value |
| Mol Name | 3-(thiophen-2-yl)isoxazole |
| Molweight | 151.189 |
| Monoisotopic Mass | 151.009184 |
| Clogp | 1.8436 |
| Clogs | -2.412 |
| H Acceptors | 2 |
| Total Surface Area | 117.41 |
| Relative Psa | 0.38702 |
| Polar Surface Area | 54.27 |
| Druglikeness | 2.6747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.41001 |
| Molecular Complexity | 0.72218 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 1 |
| Smiles | c1csc(-c2nocc2)c1 |
| InChIKey | InChI=1S/C7H5NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-5H |
| InChI | IWMABJZZIWFKGH-UHFFFAOYSA-N |
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1 — 3-(thiophen-2-yl)isoxazole | 2 — 3-(thiophen-2-yl)isoxazole