| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2013 | 14 | Yes |
Popular Name: 3-(3-Bromo-4-methoxyphenyl)propionic acid 3-(3-Bromo-4-methoxyphenyl)propi…
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CAS Number: 1857-57-4
| 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) | 1.96 | 4.7 | -44.35 | 1 | 3 | -1 | 60 | 258.091 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 2.73 | -7.28 | 2 | 3 | 0 | 58 | 259.099 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 96-100? | Alfa-Aesar |
| Melting_Point | 96-100° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.