| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 30 | Yes |
Popular Name: 3-benzyl 5-methyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 3-benzyl 5-methyl 4-(2,4-dichlor…
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CAS Number: 478259-00-6
| 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) | 6.00 | 12.5 | -7.52 | 0 | 5 | 0 | 65 | 446.33 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.18 | 12.29 | -6.54 | 0 | 5 | 0 | 65 | 446.33 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.18 | 13.15 | -11.89 | 0 | 5 | 0 | 65 | 446.33 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.00 | 12.51 | -6.81 | 0 | 5 | 0 | 65 | 446.33 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 129 - 130 | KeyOrganics |
