| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 11 | Yes |
Popular Name: 3-(2-Ethyl-1H-imidazol-1-yl)propanenitrile 3-(2-Ethyl-1H-imidazol-1-yl)prop…
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CAS Numbers: , 23996-57-8
| 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) | 0.11 | 5.97 | -36.78 | 1 | 3 | 1 | 43 | 150.205 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 5.63 | -10.79 | 0 | 3 | 0 | 42 | 149.197 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
