| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 18 | Yes |
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CAS Numbers: 191744-13-5 , [191744-13-5]
1,2,3,7,8,11a-Hexahydro-6,9,11-trioxa-3a-aza-cyclopenta[b]anthracen-4-one
2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-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) | 1.18 | -2.06 | -11.43 | 0 | 5 | 0 | 48 | 247.25 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 9.70e+00 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
