| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2010 | 9 | Yes |
Popular Name: 2-Acetyl-3-hydroxythiophene 2-Acetyl-3-hydroxythiophene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5556-07-0 , [5556-07-0]
1-(3-hydroxythiophen-2-yl)ethan-1-one
1-(3-Hydroxythiophen-2-yl)ethanone
| 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) | 1.44 | 2.87 | -52.7 | 0 | 2 | -1 | 40 | 141.171 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 1.98 | -9.39 | 1 | 2 | 0 | 37 | 142.179 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.