| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 23 | Yes |
Popular Name: 2-{[(2-hydroxy-2,2-diphenylethyl)ammonio]methyl}pyridinium dichloride 2-{[(2-hydroxy-2,2-diphenylethyl…
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CAS Number: 321521-61-3
| 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) | 2.32 | -2 | -43.42 | 3 | 3 | 1 | 49 | 305.401 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | -1.94 | -116.45 | 4 | 3 | 2 | 50 | 306.409 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 199 - 200 | KeyOrganics |
