In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 18 | No |
Popular Name: (2E)-6-Hydroxy-2-(pyridin-3-ylmethylene)-1-benzofuran-3(2H)-one (2E)-6-Hydroxy-2-(pyridin-3-ylme…
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CAS Numbers: , 620545-84-8
3(2H)-benzofuranone, 6-hydroxy-2-(3-pyridinylmethylene)-, (2E)-
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) | 1.50 | 3.72 | -9.1 | 1 | 4 | 0 | 63 | 239.23 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 4 | -38.4 | 2 | 4 | 1 | 65 | 240.238 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |