| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2012 | 11 | No |
Popular Name: 4'-(Methylthio)acetophenone 4'-(Methylthio)acetophenone
Find On: PubMed — Wikipedia — Google
CAS Number: 1778-09-2
| 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) | 2.13 | 5.84 | -7.34 | 0 | 1 | 0 | 17 | 166.245 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 6.31 | -44.8 | 0 | 1 | -1 | 17 | 165.237 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4994623 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.