In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 18 | Yes |
Popular Name: 7-(4-Fluoro-phenyl)-4,7-dioxo-heptanoic acid 7-(4-Fluoro-phenyl)-4,7-dioxo-he…
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CAS Numbers: 1566-06-9 , [1566-06-9]
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) | 1.12 | 2.27 | -47.67 | 0 | 4 | -1 | 74 | 251.233 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 123-124° | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |