| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 4-Methyl-4-(trichloromethyl)-2,5-cyclohexadien-1-one 4-Methyl-4-(trichloromethyl)-2,5…
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CAS Number: 3274-12-2
| 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) | 2.85 | 1.17 | -5.84 | 0 | 1 | 0 | 17 | 225.502 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 178 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.