In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 25 | Yes |
Popular Name: (1S,3R)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclooctanol (1S,3R)-3-[4-(1,1-dimethylheptyl…
None
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) | 7.47 | 9.01 | -5.06 | 2 | 2 | 0 | 40 | 346.555 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4306097; US4391827 | IBM Patent Data |