| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 16 | No |
Popular Name: 3-Oxo-2-(thiophene-2-carbonyl)-butyric acid ethylester 3-Oxo-2-(thiophene-2-carbonyl)-b…
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CAS Number: 13892-51-8
3-Oxo-2-(thiophene-2-carbonyl)-butyric acid ethyl
3-OXO-2-(THIOPHENE-2-CARBONYL)-BUTYRIC ACID ETHYL ESTER
3-Oxo-2-(thiophene-2-carbonyl)butyric acid ethyl ester
| 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) | 0.81 | 6.08 | -46.25 | 0 | 4 | -1 | 66 | 239.272 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 0.92 | -8.15 | 1 | 4 | 0 | 63 | 240.28 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 1.07 | -12.64 | 0 | 4 | 0 | 60 | 240.28 | 6 | ↓ |
