| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2012 | 14 | Yes |
Popular Name: 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid 3,4-Dihydro-2H-benzo[b][1,4]diox…
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CAS Number: 33632-74-5
2H-1,5-Benzodioxepin-2-carboxylic acid, 3,4-dihydro-
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxylic acid
| 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) | 0.97 | 5.6 | -51.51 | 0 | 4 | -1 | 59 | 193.178 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.