| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 19 | Yes |
Popular Name: 1-(4-fluorophenyl)-4-(4-methylpiperazino)-1-butanone 1-(4-fluorophenyl)-4-(4-methylpi…
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CAS Number: 98897-36-0
| 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) | 2.09 | 7.34 | -38.7 | 1 | 3 | 1 | 25 | 265.352 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 4.97 | -7.85 | 0 | 3 | 0 | 24 | 264.344 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 62 - 64 | KeyOrganics |
