| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2008 | 13 | No |
Popular Name: ethyl (E)-3-(2-pyridinyl)-2-propenoate ethyl (E)-3-(2-pyridinyl)-2-prop…
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CAS Numbers: 24489-96-1 , 70526-11-3 , [70526-11-3]
| 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) | 1.55 | 5.82 | -6.94 | 0 | 3 | 0 | 39 | 177.203 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 6.03 | -36.04 | 1 | 3 | 1 | 40 | 178.211 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
