| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: 2-(pyrrolidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazole dihydrochloride 2-(pyrrolidin-2-yl)-4-[3-(triflu…
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CAS Numbers: 1155056-99-7 , 1315366-83-6
| 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) | 2.72 | 6.78 | -39.87 | 3 | 3 | 1 | 45 | 282.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 5.53 | -6.49 | 2 | 3 | 0 | 41 | 281.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 5.58 | -8.86 | 2 | 3 | 0 | 41 | 281.281 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 7.15 | -113.09 | 4 | 3 | 2 | 47 | 283.297 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 240 - 242 | Enamine Building Blocks |
| MP | 240...242 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
