| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2008 | 14 | Yes |
Popular Name: 5-Methyl-3,4-isoxazole dicarboxylic acid-3-ethylester 5-Methyl-3,4-isoxazole dicarboxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 474678-51-8 , [474678-51-8]
3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-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) | 0.59 | 3.96 | -52.53 | 0 | 6 | -1 | 92 | 198.154 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0013376A2; US4284786; US4351841 | IBM Patent Data |
