| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: (-)-beta-thujone (-)-beta-thujone
(-)-beta-Thujone;(-)-cis-Thujone;(-)-Isothujone;L-Isothujone
(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1R,4R,5S)-thujan-3-one
3-thujanone; 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
| 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) | 2.16 | 1.87 | -3.83 | 0 | 1 | 0 | 17 | 152.237 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | US2007224261 | ChEBI |
