| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2010 | 19 | Yes |
Popular Name: 3-METHYL-5-METHOXYCARBONYL-1-BENZYL-4-PIPERIDONE hydrochloride 3-METHYL-5-METHOXYCARBONYL-1-BEN…
Find On: PubMed — Wikipedia — Google
CAS Number: 205692-65-5
| 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) | 1.75 | 7.24 | -8.42 | 0 | 4 | 0 | 47 | 261.321 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 9.2 | -48.81 | 1 | 4 | 1 | 48 | 262.329 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 190 - 192 | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.