| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | Yes |
Popular Name: 5-(2-Fluorophenyl)cyclohexane-1,3-dione 5-(2-Fluorophenyl)cyclohexane-1,…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102821-72-7 , [102821-72-7]
| 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) | 1.78 | 6.32 | -44.12 | 0 | 2 | -1 | 40 | 205.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 6.32 | -44.14 | 0 | 2 | -1 | 40 | 205.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 4.59 | -10.7 | 1 | 2 | 0 | 37 | 206.216 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 4.6 | -10.71 | 1 | 2 | 0 | 37 | 206.216 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 6.52 | -12.93 | 0 | 2 | 0 | 34 | 206.216 | 1 | ↓ |
