| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: 6-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one 6-acetyl-7-hydroxy-4-methyl-2H-c…
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CAS Numbers: 16555-98-9 , [16555-98-9]
| 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) | 2.18 | 5.56 | -15.73 | 1 | 4 | 0 | 68 | 218.208 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 6.57 | -54.8 | 0 | 4 | -1 | 70 | 217.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
