| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 20 | Yes |
Popular Name: Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate Ethyl 4-hydroxy-8-(trifluorometh…
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CAS Number: 23851-84-5
4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic ethyl ester
ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate
Ethyl 4-hydroxy-8-trifluoromethylquinoline-3-carboxylate
Ethyl 4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate
| 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) | 1.69 | 7.94 | -11.62 | 1 | 4 | 0 | 59 | 285.221 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 6.74 | -43.22 | 0 | 4 | -1 | 62 | 284.213 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 216° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.