| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2012 | 14 | Yes |
Popular Name: Ethyl 1H-pyrrolo[2,3-c]pyridine-7-carboxylate Ethyl 1H-pyrrolo[2,3-c]pyridine-…
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CAS Numbers: 945840-74-4 , [945840-74-4]
| 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) | 1.51 | 4.4 | -8.71 | 1 | 4 | 0 | 55 | 190.202 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 4.84 | -30.73 | 2 | 4 | 1 | 56 | 191.21 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 112-114° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Purity | >97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.