| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 23 | No |
Popular Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 2-(2,5-cyclohexadienyliden)acetate (6-nitro-1,3-benzodioxol-5-yl)me…
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CAS Number: 331460-16-3
| 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) | 3.17 | 2.08 | -10.53 | 0 | 7 | 0 | 90 | 315.281 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 327 - 328 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
