In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 25 | Yes |
Popular Name: 5-(1,1-dimethylheptyl)-2-[(1S,3R,5S)-3-ethyl-5-hydroxy-cyclohexyl]phenol 5-(1,1-dimethylheptyl)-2-[(1S,3R…
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) | 7.39 | 9.49 | -4.62 | 2 | 2 | 0 | 40 | 346.555 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4306097; US4391827 | IBM Patent Data |