| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 31 | No |
Popular Name: 1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrobenzyl)piperazine 1-[Bis(4-fluorophenyl)methyl]-4-…
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CAS Number: 914349-64-7
1-(Bis(4-fluorophenyl)methyl)-4-(4-nitrobenzyl)piperazine
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| 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) | 5.10 | 14.52 | -62.52 | 1 | 5 | 1 | 53 | 424.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.10 | 12.26 | -9.58 | 0 | 5 | 0 | 52 | 423.463 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.10 | 13.87 | -55.14 | 1 | 5 | 1 | 53 | 424.471 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
