| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 21 | Yes |
Popular Name: 6-Ethyl-2-pyridin-3-ylquinoline-4-carboxylic acid 6-Ethyl-2-pyridin-3-ylquinoline-…
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CAS Numbers: , 588696-87-1
4-quinolinecarboxylic acid, 6-ethyl-2-(3-pyridinyl)-
6-ethyl-2-(pyridin-3-yl)quinoline-4-carboxylic acid
| 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) | 3.46 | 0.04 | -53.56 | 0 | 4 | -1 | 66 | 277.303 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 0.15 | -63.92 | 1 | 4 | 0 | 67 | 278.311 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.