| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 28 | Yes |
Popular Name: Benzoic acid, 4-(phenylethynyl)-2-[[3-(trifluoromethyl)phenyl]amino]- (9CI) Benzoic acid, 4-(phenylethynyl)-…
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CAS Number: 228581-78-0
| 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) | 6.25 | 13.82 | -46.14 | 1 | 3 | -1 | 52 | 380.345 | 4 | ↓ |
