| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2012 | 14 | Yes |
Popular Name: Ethyl l-octahydroindole-2-carboxylate hydrochloride Ethyl l-octahydroindole-2-carbox…
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CAS Number: 82864-25-3
| 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) | 3.12 | 5.64 | -34.15 | 2 | 3 | 1 | 43 | 198.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 4.54 | -6.31 | 1 | 3 | 0 | 38 | 197.278 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4508729; US4565819; US4616029; US4616030; US4616031; US4644008 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.