| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2008 | 17 | No |
Popular Name: Methyl 7-nitro-1,4-benzodioxane-6-carboxylate Methyl 7-nitro-1,4-benzodioxane-…
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CAS Numbers: 1821-12-1 , 52791-03-4
Methyl 7-nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate
| 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) | 1.68 | 5.33 | -11.5 | 0 | 7 | 0 | 91 | 239.183 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.