| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2013 | 15 | Yes |
Popular Name: 3-(4-n-Propoxyphenyl)propionic acid 3-(4-n-Propoxyphenyl)propionic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 3243-40-1
| 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) | 1.95 | 6.88 | -46.15 | 0 | 3 | -1 | 49 | 205.233 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 4.9 | -7.76 | 1 | 3 | 0 | 47 | 206.241 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 94-99? | Alfa-Aesar |
| Melting_Point | 94-99° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.