| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2008 | 23 | Yes |
Popular Name: 3-[(4-chlorobenzoyl)amino]-2-(4-methylpiperazino)pyridinium chloride 3-[(4-chlorobenzoyl)amino]-2-(4-…
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CAS Number: 1047974-74-2
| 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) | 2.55 | 8.32 | -47.42 | 2 | 5 | 1 | 50 | 331.827 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 5.85 | -8.22 | 1 | 5 | 0 | 48 | 330.819 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 211 - 213 | KeyOrganics |
