| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2012 | 17 | Yes |
Popular Name: 3-[4-Methoxy-3-(trifluoromethyl)phenyl]propionic acid 3-[4-Methoxy-3-(trifluoromethyl)…
Find On: PubMed — Wikipedia — Google
CAS Number: 1005205-20-8
3-[4-Methoxy-3-(trifluoromethyl)phenyl]propionic acid, JRD
3-[4-Methoxy-3-(trifluoromethyl)phenyl]propionic acid, JRD, 97%
| 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) | 2.76 | 7.02 | -44.84 | 0 | 3 | -1 | 49 | 247.192 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 5.04 | -9.3 | 1 | 3 | 0 | 47 | 248.2 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 94-97? | Alfa-Aesar |
| Melting_Point | 94-97° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.