| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 14 | Yes |
Popular Name: 1-[(1S,2S,4S)-4-tert-butyl-2-methyl-cyclohexyl]ethanone 1-[(1S,2S,4S)-4-tert-butyl-2-met…
| 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) | 3.72 | 7.85 | -4.81 | 0 | 1 | 0 | 17 | 196.334 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4187251 | IBM Patent Data |
