| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2013 | 18 | No |
Popular Name: 2-Amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester 2-Amino-4-(4-fluorophenyl)thioph…
Find On: PubMed — Wikipedia — Google
CAS Number: 350997-12-5
Methyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
Methyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate, 96%
| 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) | 2.41 | 7.1 | -10.08 | 1 | 3 | 0 | 50 | 265.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 6.67 | -8.09 | 2 | 3 | 0 | 52 | 265.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 7.03 | -9.71 | 1 | 3 | 0 | 50 | 265.309 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 144-145? | Alfa-Aesar |
| Melting_Point | 144-145° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.