| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 22 | No |
Popular Name: 2-(2,2-dimethylpropanoyl)-3-hydroxy-3-((3-(trifluoromethyl)phenyl)amino)prop-2-enenitrile 2-(2,2-dimethylpropanoyl)-3-hydr…
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CAS Number: 1024762-94-4
| 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) | 3.60 | 7.22 | -40.91 | 1 | 4 | -1 | 76 | 311.283 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 5.65 | -112.69 | 0 | 4 | -2 | 82 | 310.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.37 | -17.67 | 1 | 4 | 0 | 70 | 312.291 | 5 | ↓ |
