| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 22nd, 2008 | 18 | Yes |
Popular Name: 4-Hydroxy-8-(trifluoromethyl)-3-quinoline-carboxylic acid 4-Hydroxy-8-(trifluoromethyl)-3-…
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CAS Number: 23779-95-5
4-Hydroxy-8-(trifluoromethyl)-3-quinoline-
4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid 97%
| 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) | 2.35 | 4.73 | -48.97 | 1 | 4 | -1 | 73 | 256.159 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 5.74 | -123.68 | 0 | 4 | -2 | 76 | 255.151 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 5.1 | -34.78 | 2 | 4 | 0 | 74 | 257.167 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 292° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5278317; US5633264 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.