| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 22 | No |
Popular Name: 3-[1,3,3-tris(2-cyanoethyl)-2-keto-cyclopentyl]propionitrile 3-[1,3,3-tris(2-cyanoethyl)-2-ke…
| 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) | -1.06 | 8.12 | -29.99 | 0 | 5 | 0 | 112 | 296.374 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0366608A2; EP0366608B1 | IBM Patent Data |
