| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 16 | Yes |
Popular Name: 1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol 1-(2-Allyl-phenoxy)-3-methylamin…
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CAS Numbers: 78510-05-1 , [78510-05-1]
| 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) | 1.91 | 3.82 | -41.97 | 3 | 3 | 1 | 46 | 222.308 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 2.39 | -5.47 | 2 | 3 | 0 | 41 | 221.3 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
