| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 24 | Yes |
Popular Name: N-(3-pyridinylmethyl)-4,6-bis(trifluoromethyl)-2-pyridinecarboxamide N-(3-pyridinylmethyl)-4,6-bis(tr…
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CAS Number: 1092345-12-4
| 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) | 2.71 | 5.2 | -6.81 | 1 | 4 | 0 | 55 | 349.234 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 5.65 | -39.83 | 2 | 4 | 1 | 56 | 350.242 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 110 - 112 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
