| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 23 | No |
Popular Name: 5-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid 5-acetyl-2,6-dimethyl-4-(4-nitro…
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CAS Number: 219553-55-6
| 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) | 2.62 | -0.05 | -48.56 | 0 | 7 | -1 | 115 | 315.305 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 0.05 | -37.83 | 0 | 7 | -1 | 115 | 315.305 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 1.18 | -48.9 | 0 | 7 | -1 | 115 | 315.305 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 0.01 | -41.27 | 0 | 7 | -1 | 115 | 315.305 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 164 - 165 | KeyOrganics |
