| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 17 | Yes |
Popular Name: ethyl 5-methyl-3-pyridin-4-ylisoxazole-4-carboxylate ethyl 5-methyl-3-pyridin-4-yliso…
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CAS Numbers: , 479077-33-3
4-isoxazolecarboxylic acid, 5-methyl-3-(4-pyridinyl)-, ethyl ester
4-Isoxazolecarboxylic acid, 5-methyl-3-(4-pyridinyl)-, ethyl ester (9CI)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.16 | 5.72 | -8.16 | 0 | 5 | 0 | 65 | 232.239 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 6.18 | -39.16 | 1 | 5 | 1 | 66 | 233.247 | 4 | ↓ |
