| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 18 | Yes |
Popular Name: methyl 3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate methyl 3-(1H-pyrrol-1-yl)-1-benz…
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CAS Numbers: 80066-96-2 , [80066-96-2]
| 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) | 3.58 | 2.6 | -8.41 | 0 | 3 | 0 | 31 | 257.314 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 114 - 115 | KeyOrganics |
