| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 23 | No |
Popular Name: 1-Benzyl-4-(4-nitrobenzyl)piperazine 1-Benzyl-4-(4-nitrobenzyl)pipera…
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CAS Number: 148120-37-0
| 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) | 2.99 | 10 | -52.97 | 1 | 5 | 1 | 53 | 312.393 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 10.06 | -47.08 | 1 | 5 | 1 | 53 | 312.393 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 7.68 | -7.33 | 0 | 5 | 0 | 52 | 311.385 | 5 | ↓ |
| 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.