| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 24 | Yes |
Popular Name: 4-(2,6-dichlorophenyl)-2-[2-(dimethylamino)vinyl]-6-methyl-3,5-pyridinedicarbonitrile 4-(2,6-dichlorophenyl)-2-[2-(dim…
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CAS Number: 303148-14-3
| 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) | 3.83 | 5.25 | -43.31 | 1 | 4 | 1 | 64 | 358.252 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 5.33 | -113.12 | 2 | 4 | 2 | 66 | 359.26 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 230 - 233 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
