In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 11 | Yes |
Popular Name: (1R,4S)-4,7,7-trimethyl-5-oxabicyclo[2.2.1]heptan-6-one (1R,4S)-4,7,7-trimethyl-5-oxabic…
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) | 0.72 | 4.98 | -8.22 | 0 | 2 | 0 | 26 | 154.209 | 0 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | WO1999052890A1 | IBM Patent Data |