| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 28 | No |
Popular Name: 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid 4-Amino-3-(Trifluoromethyl)Benzo…
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CAS Number: 400-76-0
| 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) | 2.22 | 7.1 | -57.78 | 3 | 6 | 0 | 130 | 411.278 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.2 | -39.57 | 2 | 6 | 0 | 128 | 410.27 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.17 | -41.31 | 2 | 6 | 0 | 128 | 410.27 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.