| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 13 | Yes |
Popular Name: 2-Octahydroisoquinolin-2(1H)-ylethanamine 2-Octahydroisoquinolin-2(1H)-yle…
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CAS Numbers: , 10533-14-9
| 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) | 1.43 | 4.62 | -116.81 | 4 | 2 | 2 | 32 | 184.327 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.24 | -31.74 | 3 | 2 | 1 | 30 | 183.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 2.39 | -41.54 | 3 | 2 | 1 | 31 | 183.319 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
