| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | Yes |
Popular Name: 7-(4-t-Butylphenyl)-7-oxoheptanoic acid 7-(4-t-Butylphenyl)-7-oxoheptano…
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CAS Number: 898791-45-2
| 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) | 4.47 | 11.13 | -50.87 | 0 | 3 | -1 | 57 | 275.368 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.47 | 9.15 | -12.66 | 1 | 3 | 0 | 54 | 276.376 | 8 | ↓ |
