| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 21 | No |
Popular Name: 3-(1,3-benzodioxol-5-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[(2,2…
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CAS Number: 174502-41-1
| 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) | 0.43 | 3.87 | -48.72 | 1 | 6 | -1 | 88 | 304.2 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 2.76 | -117.35 | 0 | 6 | -2 | 94 | 303.192 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 150 - 153 | KeyOrganics |
