| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 27 | No |
Popular Name: 3-(4-benzylpiperazino)-1-(4-bromophenyl)dihydro-1H-pyrrole-2,5-dione 3-(4-benzylpiperazino)-1-(4-brom…
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CAS Number: 299408-53-0
| 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) | 2.47 | 7.65 | -10.16 | 0 | 5 | 0 | 44 | 428.33 | 4 | ↓ |
| Ref Reference (pH 7) | 2.47 | 7.38 | -10.72 | 0 | 5 | 0 | 44 | 428.33 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 9.86 | -51.37 | 1 | 5 | 1 | 45 | 429.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 9.65 | -46.26 | 1 | 5 | 1 | 45 | 429.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 9.9 | -49.49 | 1 | 5 | 1 | 45 | 429.338 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 153 - 154 | KeyOrganics |
