| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 18 | No |
Popular Name: 2-butyl-5-(4-nitrophenyl)-1,3,4-oxadiazole 2-butyl-5-(4-nitrophenyl)-1,3,4-…
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CAS Number: 100933-81-1
| 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) | 2.94 | -0.27 | -8.3 | 0 | 6 | 0 | 84 | 247.254 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 68 - 70 | KeyOrganics |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
