| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 17 | Yes |
Popular Name: 3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylic acid 3-(1H-pyrrol-1-yl)-1-benzothioph…
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CAS Numbers: 80066-98-4 , N/A
3-(1h-pyrrol-1-yl)-1-benzothiophene-2-carboxylicacid
| 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) | 3.32 | 9.58 | -52.7 | 0 | 3 | -1 | 45 | 242.279 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 207 - 209 | KeyOrganics |
| MP | 207-209° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
