| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 17 | Yes |
Popular Name: 2-Chloro-N-(3-pyridinylmethyl)nicotinamide 2-Chloro-N-(3-pyridinylmethyl)ni…
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CAS Numbers: 224048-89-9 , N/A
2-Chloro-N-(pyridin-3-ylmethyl)nicotinamide
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
| 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) | 1.02 | 3.51 | -12.85 | 1 | 4 | 0 | 55 | 247.685 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 3.78 | -47.15 | 2 | 4 | 1 | 56 | 248.693 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.