| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 16 | Yes |
Popular Name: 1-phenylisoquinoline 1-phenylisoquinoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22990-19-8 , 3297-72-1 , [3297-72-1]
| 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) | 3.72 | 0.86 | -7.05 | 0 | 1 | 0 | 12 | 205.26 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | 0.96 | -26.29 | 1 | 1 | 1 | 14 | 206.268 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 130 / 10 | TCI |
| MP | 96 | TCI |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0770079A1; EP0920867A1; WO1996001825A1 | IBM Patent Data |
