| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 19 | Yes |
Popular Name: 1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one 1,3-Dihydroxy-7-methoxy-9H-xanth…
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CAS Numbers: 491-64-5 , [491-64-5]
| 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) | 2.81 | 1.9 | -19.71 | 2 | 5 | 0 | 80 | 258.229 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 2.92 | -65.57 | 1 | 5 | -1 | 83 | 257.221 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 2.7 | -48.83 | 1 | 5 | -1 | 83 | 257.221 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
