| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 12 | Yes |
Popular Name: 2-azatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),8-triene 2-azatricyclo[7.3.0.0^{3,7}]dode…
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CAS Number: 34421-99-3
| 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) | 2.47 | 6.46 | -6.06 | 0 | 1 | 0 | 13 | 159.232 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 6.67 | -23.47 | 1 | 1 | 1 | 14 | 160.24 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0976742A1; US6022984 | IBM Patent Data |
