| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 13 | No |
Popular Name: 1-(3-chlorophenyl)butane-1,3-dione 1-(3-chlorophenyl)butane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Number: 128486-09-9
| 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) | 2.68 | 6.12 | -35.83 | 0 | 2 | -1 | 40 | 195.625 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 6.2 | -8.58 | 0 | 2 | 0 | 34 | 196.633 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 39 - 41 | Enamine Building Blocks |
| MP | 39...41 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
