| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 18 | No |
Popular Name: 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pentane-1,3-dione 1-(1,3-benzodioxol-5-yl)-4,4-dim…
| 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) | 2.49 | 7.68 | -19.75 | 0 | 4 | 0 | 53 | 248.278 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 7.64 | -46.7 | 0 | 4 | -1 | 59 | 247.27 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5191121 | IBM Patent Data |
