| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2006 | 15 | Yes |
Popular Name: 4-(4-Fluoro-3-methyl-phenyl)-4-oxo-butyric acid 4-(4-Fluoro-3-methyl-phenyl)-4-o…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 349-22-4 , 63213-94-5 , [349-22-4]
4-(4-fluoro-3-methyl-phenyl)-4-oxo-butyricacid
4-(4-Fluoro-3-methylphenyl)-4-oxobutanoic acid
| 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) | 1.79 | 6.23 | -45.13 | 0 | 3 | -1 | 57 | 209.196 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 119° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.