| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 14 | No |
Popular Name: 1-(3-methoxyphenyl)butane-1,3-dione 1-(3-methoxyphenyl)butane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Number: 29681-99-0
| 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) | 2.05 | 4.93 | -39.9 | 0 | 3 | -1 | 49 | 191.206 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 5.36 | -54.61 | 0 | 3 | -1 | 49 | 191.206 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 5.01 | -9.7 | 0 | 3 | 0 | 43 | 192.214 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
