| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2006 | 15 | Yes |
Popular Name: Acetonitrile, [[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]- (9CI) Acetonitrile, [[5-(2-pyridinyl)-…
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CAS Number: 604739-83-5
| 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) | 1.17 | 0.36 | -11.59 | 0 | 5 | 0 | 76 | 218.241 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
