| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 17 | Yes |
Popular Name: 2-Azepan-1-yl-2-(4-fluorophenyl)ethanamine 2-Azepan-1-yl-2-(4-fluorophenyl)…
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CAS Number: 876715-94-5
| 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) | 2.31 | 6.79 | -125.7 | 4 | 2 | 2 | 32 | 238.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 5.55 | -51.62 | 3 | 2 | 1 | 31 | 237.342 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 7.06 | -32.97 | 3 | 2 | 1 | 30 | 237.342 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
