| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 13 | Yes |
Popular Name: 2,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one 2,6,6-trimethyl-6,7-dihydro-1-be…
Find On: PubMed — Wikipedia — Google
CAS Number: 57822-05-6
| 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) | 2.34 | 6.07 | -8.77 | 0 | 2 | 0 | 30 | 178.231 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 71 - 73 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
