| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 20 | Yes |
Popular Name: 4-{3-[(3-chlorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine 4-{3-[(3-chlorophenoxy)methyl]-1…
Find On: PubMed — Wikipedia — Google
CAS Number: 477852-70-3
| 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) | 2.63 | 6.45 | -9.34 | 1 | 5 | 0 | 64 | 286.722 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 6.31 | -41.39 | 0 | 5 | -1 | 62 | 285.714 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 188 - 190 | KeyOrganics |
