| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 14 | No |
Popular Name: 2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile 2-(1,3-benzothiazol-2-yl)-3-oxop…
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CAS Numbers: 327104-64-3 , 51864-41-6
2-(1,3-benzothiazol-2-yl)-3-hydroxyacrylonitrile
2-Benzothiazoleacetonitrile, alpha-(hydroxymethylene)- (9CI)
| 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) | 1.68 | 4.81 | -9.72 | 0 | 3 | 0 | 54 | 202.238 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
