| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 13 | Yes |
Popular Name: 5-Thien-3-ylcyclohexane-1,3-dione 5-Thien-3-ylcyclohexane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Number: 239132-57-1
| 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) | 0.51 | 5.48 | -10.37 | 0 | 2 | 0 | 34 | 194.255 | 1 | ↓ |
| Ref Reference (pH 7) | 1.25 | 5.3 | -41.17 | 0 | 2 | -1 | 40 | 193.247 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 5.3 | -41.15 | 0 | 2 | -1 | 40 | 193.247 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 3.57 | -9.35 | 1 | 2 | 0 | 37 | 194.255 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 3.58 | -9.37 | 1 | 2 | 0 | 37 | 194.255 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
