| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 19 | Yes |
Popular Name: 1-allyl-2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazole 1-allyl-2-(2-chloro-3-pyridinyl)…
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CAS Number: 400081-26-7
| 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) | 3.99 | 8.5 | -13.21 | 0 | 3 | 0 | 31 | 269.735 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 8.91 | -26.2 | 1 | 3 | 1 | 32 | 270.743 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 89 - 92 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
