| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 15 | No |
Popular Name: Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate, 96% Ethyl 2-amino-4-(4-methoxyphenyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 15854-11-2
| 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) | 2.12 | 3.35 | -6.31 | 2 | 2 | 0 | 44 | 219.309 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 3.36 | -7.09 | 2 | 2 | 0 | 44 | 219.309 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 2.99 | -6.1 | 3 | 2 | 0 | 46 | 219.309 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 74-76? | Alfa-Aesar |
| Melting_Point | 74-76° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.