| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 11 | Yes |
Popular Name: 1-(6-chloro-2-methyl-3-pyridinyl)-1-ethanone 1-(6-chloro-2-methyl-3-pyridinyl…
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CAS Numbers: 15771-06-9 , 439111-18-9 , [15771-06-9]
| 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) | 2.01 | 0.68 | -7.96 | 0 | 2 | 0 | 30 | 169.611 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.