| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 32 | Yes |
Popular Name: dimethyl 5,5-dicyano-2-hydroxy-6-(4-methylphenyl)-4-phenyl-1-cyclohexene-1,3-dicarboxylate dimethyl 5,5-dicyano-2-hydroxy-6…
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CAS Number: 1212208-56-4
| 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) | 4.03 | 11.35 | -17.76 | 0 | 7 | 0 | 117 | 430.46 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 11.6 | -131.67 | 0 | 7 | -2 | 129 | 428.444 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 11.7 | -53.04 | 0 | 7 | -1 | 123 | 429.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 12.25 | -44.09 | 0 | 7 | -1 | 123 | 429.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 11.71 | -25.53 | 0 | 7 | 0 | 123 | 429.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 11.62 | -53.72 | 0 | 7 | -1 | 123 | 429.452 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 188 - 190 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.