In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 15 | Yes |
Popular Name: 2-(5-methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine 2-(5-methylthiophen-2-yl)-2-(mor…
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CAS Number: 1094226-79-5
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) | 0.70 | 1.48 | -47.2 | 3 | 3 | 1 | 40 | 227.353 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 1.39 | -3.87 | 2 | 3 | 0 | 38 | 226.345 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |