| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | No |
Popular Name: haematoxylin haematoxylin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 517-28-2 , CAS# 517-28-2 , [517-28-2]
7,11b-Dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol
7,11b-dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6H)-pentol
benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-
| 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) | 1.03 | -3.48 | -15 | 5 | 6 | 0 | 110 | 302.282 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | -2.56 | -58.03 | 4 | 6 | -1 | 113 | 301.274 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | -2.55 | -54.76 | 4 | 6 | -1 | 113 | 301.274 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0040240A1; EP0107055A2; EP0151030A2; EP0151030B1; EP0260715A2; EP0397700A1; EP0397700B1; EP0422112A1; EP0422112B1; EP0509149B1; EP0630644A1; EP0671387B1; EP0914827A1; EP0951912A2; EP0967982A2; US3974041; US3997656; US4021572; US4232552; US4300557; US430 | IBM Patent Data |
