In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2014 | 14 | No |
Popular Name: Ethyl 2-oxo-2-(2-oxotetrahydro-2H-pyran-3-yl)acetate Ethyl 2-oxo-2-(2-oxotetrahydro-2…
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CAS Number: 61202-99-1
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) | 0.36 | 5.35 | -10.27 | 0 | 5 | 0 | 70 | 200.19 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 4.3 | -44.02 | 0 | 5 | -1 | 76 | 199.182 | 3 | ↓ |
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