In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 17 | Yes |
Popular Name: 1-[(3,5-Dimethylisoxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid 1-[(3,5-Dimethylisoxazol-4-yl)me…
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CAS Numbers: , 1119452-79-7
1-[(3,5-dimethylisoxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylicacid
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) | -0.33 | 4.98 | -42.73 | 0 | 6 | -1 | 86 | 237.235 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.33 | 2.97 | -12.31 | 1 | 6 | 0 | 84 | 238.243 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |