In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2006 | 25 | Yes |
Popular Name: Quercetin 3,3',4'-trimethyl ether Quercetin 3,3',4'-trimethyl ether
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CAS Number: 14549-84-9
2- -5,7-DIHYDROXY-3-METHOXY-CHROMEN-4-ONE
2-(3,4-DIMETHOXY-PHENYL)-5,7-DIHYDROXY-3-METHOXY-CHROMEN-4-ONE
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
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) | 2.57 | 3.31 | -21.15 | 2 | 7 | 0 | 98 | 344.319 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 4.32 | -64.07 | 1 | 7 | -1 | 101 | 343.311 | 4 | ↓ |