In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 13 | Yes |
Popular Name: 1-(3-hydroxy-1-benzothien-2-yl)ethanone 1-(3-hydroxy-1-benzothien-2-yl)e…
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) | 2.75 | 5.57 | -42.83 | 0 | 2 | -1 | 40 | 191.231 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4260776; US4873259 | IBM Patent Data |