| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 11 | Yes |
Popular Name: 3-(2-Methylpiperidin-1-yl)propanenitrile 3-(2-Methylpiperidin-1-yl)propan…
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CAS Numbers: 140837-33-8 , [140837-33-8]
| 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) | 1.04 | 6.26 | -44.02 | 1 | 2 | 1 | 28 | 153.249 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 4.01 | -5.34 | 0 | 2 | 0 | 27 | 152.241 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 123 / 18 | TCI |
| Warnings | IRRITANT | Matrix Scientific |
