| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 11 | Yes |
Popular Name: Ethanone, 1-(1,2,4-trimethyl-1H-pyrrol-3-yl)- (9CI) Ethanone, 1-(1,2,4-trimethyl-1H-…
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CAS Number: 52648-88-1
| 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) | 1.35 | 2.77 | -8.49 | 0 | 2 | 0 | 22 | 151.209 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 154 - 155 | MolMall (formerly Molecular Diversity Preservation International) |
