In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 12 | Yes |
Popular Name: 5-Ethyl-4-(hydroxymethyl)isoxazole-3-carboxylic acid 5-Ethyl-4-(hydroxymethyl)isoxazo…
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CAS Numbers: , 1134334-00-1
3-isoxazolecarboxylic acid, 5-ethyl-4-(hydroxymethyl)-
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) | 0.29 | 0.82 | -50.18 | 1 | 5 | -1 | 86 | 170.144 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |