| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 14 | Yes |
Popular Name: Benzonitrile, 4-(1,3-dioxan-2-yl)- (9CI) Benzonitrile, 4-(1,3-dioxan-2-yl…
Find On: PubMed — Wikipedia — Google
CAS Number: 85754-27-4
| 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) | 1.74 | 5.41 | -6.1 | 0 | 3 | 0 | 42 | 189.214 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0675118A2; EP0675118A3 | IBM Patent Data |
