| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 13 | Yes |
Popular Name: 4-(4-Chloro-phenyl)-pyridine 4-(4-Chloro-phenyl)-pyridine
Find On: PubMed — Wikipedia — Google
CAS Number: 5957-96-0
| 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) | 3.12 | 6.67 | -4.88 | 0 | 1 | 0 | 13 | 189.645 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 6.95 | -36.19 | 1 | 1 | 1 | 14 | 190.653 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95+% | Fluorochem |
| PUBCHEM_PATENT_ID | US4133809; US4164498; US4213982 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
