| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2013 | 15 | Yes |
Popular Name: 1-Benzothiophen-3(2H)-one 1-Benzothiophen-3(2H)-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130-03-0 , 520-72-9 , [130-03-0]
| 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) | 1.71 | 5.16 | -6.05 | 0 | 1 | 0 | 17 | 150.202 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 6.81 | -5.92 | 0 | 2 | 0 | 37 | 261.122 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 62 - 64 | Enamine Building Blocks |
| MP | 62...64 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.