| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 33 | Yes |
Popular Name: dimethyl 5,5-dicyano-2-hydroxy-4,6-bis(4-methylphenyl)-1-cyclohexene-1,3-dicarboxylate dimethyl 5,5-dicyano-2-hydroxy-4…
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CAS Number: 547769-61-9
| 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) | 4.48 | 12.03 | -17.84 | 0 | 7 | 0 | 117 | 444.487 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 11.63 | -118.41 | 0 | 7 | -2 | 129 | 442.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 12.27 | -44.85 | 0 | 7 | -1 | 123 | 443.479 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.07 | 12.29 | -25.11 | 0 | 7 | 0 | 123 | 443.479 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 211 - 213 | KeyOrganics |
