| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 19 | Yes |
Popular Name: 2-BLAHylacetonitrile 2-BLAHylacetonitrile
None
| 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) | 1.78 | 7.1 | -50.46 | 3 | 3 | 1 | 56 | 252.341 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 6.03 | -9.13 | 2 | 3 | 0 | 52 | 251.333 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4005090; US4166182; US4180582; US4202979; US4348392 | IBM Patent Data |
