| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2013 | 19 | No |
Popular Name: 2-Amino-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester 2-Amino-4-(4-chlorophenyl)thioph…
Find On: PubMed — Wikipedia — Google
CAS Number: 65234-09-5
| 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) | 3.28 | 8.33 | -8.99 | 1 | 3 | 0 | 50 | 295.791 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 8.28 | -8.66 | 1 | 3 | 0 | 50 | 295.791 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 7.91 | -7.25 | 2 | 3 | 0 | 52 | 295.791 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 110-114? | Alfa-Aesar |
| Melting_Point | 110-114° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.