| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 19 | Yes |
Popular Name: 9-Methoxy-4-methyl-2,4,5,6-tetrahydro-1H-3,4,6a-triazafluoranthene hydrochloride 9-Methoxy-4-methyl-2,4,5,6-tetra…
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CAS Numbers: 53734-79-5 , [53734-79-5] , [54188-38-4]
1H-3,4,6a-triazafluoranthene, 2,4,5,6-tetrahydro-9-methoxy-4-methyl-, hydrochloride
1H-3,4,6a-triazafluoranthene, 2,4,5,6-tetrahydro-9-methoxy-4-methyl-, monohydrochloride
9-methoxy-4-methyl-2,4,5,6-tetrahydro-1h-3,4,6a-triazafluoranthenehydrochloride
| 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) | 1.58 | 6.83 | -31.08 | 1 | 4 | 1 | 31 | 256.329 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.981 | Bitter DB |
| PUBCHEM_PATENT_ID | EP0737066A1; EP0929303A2; EP0994867A1; EP1021204A2; US5446070; US5656286; US5719197; US5792799; US6024976; US6096742; US6117855; WO1995018603A1; WO1996040086A2; WO1998015277A2; WO1999001444A1; WO1999015210A2; WO2000048636A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
