| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 22 | Yes |
Popular Name: 2-(1,3-Benzodioxol-5-yl)quinoline-4-carboxylic acid 2-(1,3-Benzodioxol-5-yl)quinolin…
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CAS Numbers: , 174636-86-3 , [174636-86-3]
2-(1,3-benzodioxol-5-yl)-4-quinolinecarboxylic acid
2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylicacid
| 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) | 3.53 | 7.66 | -48.46 | 0 | 5 | -1 | 71 | 292.27 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 7.96 | -44.47 | 1 | 5 | 0 | 73 | 293.278 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
