In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2010 | 18 | No |
Popular Name: Ethyl 7,8-dihydroxy-2-oxo-2H-chromene-3-carboxylate Ethyl 7,8-dihydroxy-2-oxo-2H-chr…
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CAS Number: 810676-31-4
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) | 1.39 | 3.21 | -16.37 | 2 | 6 | 0 | 97 | 250.206 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 4.24 | -52.24 | 1 | 6 | -1 | 100 | 249.198 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 4.14 | -41.17 | 1 | 6 | -1 | 100 | 249.198 | 3 | ↓ |