| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: 1-[4-(2H-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]ethan-1-amine hydrochloride 1-[4-(2H-1,3-benzodioxol-5-yl)-1…
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CAS Numbers: 1155053-08-9 , 1311317-85-7
| 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) | -0.54 | 2.26 | -35.87 | 4 | 5 | 1 | 74 | 232.263 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | 1.66 | -13.22 | 3 | 5 | 0 | 73 | 231.255 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | 1.97 | -50.2 | 4 | 5 | 1 | 75 | 232.263 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
