Mol Weight - 193.162
Smiles - Cn1ncc(-c2cc(C(O)=O)no2)c1
| Property Name | Property Value |
| Mol Name | 5-(1-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylicacid |
| Molweight | 193.162 |
| Monoisotopic Mass | 193.048742 |
| Clogp | -0.5785 |
| Clogs | -1.295 |
| H Acceptors | 6 |
| H Donors | 1 |
| Total Surface Area | 145.79 |
| Relative Psa | 0.4737 |
| Polar Surface Area | 81.15 |
| Druglikeness | 4.7984 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.40024 |
| Molecular Complexity | 0.70181 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 3 |
| Acidic Oxygens | 1 |
| Smiles | Cn1ncc(-c2cc(C(O)=O)no2)c1 |
| InChIKey | InChI=1S/C8H7N3O3/c1-11-4-5(3-9-11)7-2-6(8(12)13)10-14-7/h2-4H,1H3,(H,12,13) |
| InChI | UPYDIDCKWXFZJZ-UHFFFAOYSA-N |
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1 — 5-(1-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylicacid | 2 — 5-(1-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylicacid