| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 13 | Yes |
Popular Name: [1-(5-bromothiophen-2-yl)ethyl](butyl)amine [1-(5-bromothiophen-2-yl)ethyl](…
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CAS Number: 1178098-94-6
| 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) | 4.33 | 7.17 | -38.49 | 2 | 1 | 1 | 17 | 263.224 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 5.97 | -1.8 | 1 | 1 | 0 | 12 | 262.216 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
