| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 17 | No |
Popular Name: methyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate methyl 4-(2,5-dichlorophenyl)-2,…
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CAS Number: 848052-90-4
| 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) | 2.79 | 7.13 | -44.5 | 0 | 4 | -1 | 66 | 274.079 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 1.12 | -14.28 | 1 | 4 | 0 | 63 | 275.087 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 8.39 | -11.35 | 0 | 4 | 0 | 60 | 275.087 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 145 - 147 | Enamine Building Blocks |
| MP | 145...147 | Enamine Building Blocks |
| MP | 150 - 152 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
