| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 14 | No |
Popular Name: 2-(cyanosulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one 2-(cyanosulfanyl)-1-(3,4-dihydro…
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CAS Number: 101714-41-4
| 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) | 0.79 | 1 | -13.12 | 2 | 4 | 0 | 81 | 209.226 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 1.92 | -43.17 | 1 | 4 | -1 | 84 | 208.218 | 3 | ↓ |
| 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.