| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 19 | Yes |
Popular Name: 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethanamine 2-{4-[3-(Trifluoromethyl)phenyl]…
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CAS Number: 27144-85-0
| 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) | 1.61 | 3.54 | -46.35 | 3 | 3 | 1 | 34 | 274.31 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 5.77 | -124.88 | 4 | 3 | 2 | 35 | 275.318 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 270 - 271 | Enamine Building Blocks |
| MP | 270...271 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
