| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 20 | Yes |
Popular Name: 5-(4-Trifluoromethoxyphenyl)-nicotinic acid 5-(4-Trifluoromethoxyphenyl)-nic…
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CAS Number: 898796-62-8
| 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) | 3.18 | 6.48 | -46.04 | 0 | 4 | -1 | 62 | 282.197 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 6.93 | -48.6 | 1 | 4 | 0 | 63 | 283.205 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95+% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
