In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 15 | Yes |
Popular Name: [1-(5-chlorothiophen-2-yl)ethyl](oxolan-2-ylmethyl)amine [1-(5-chlorothiophen-2-yl)ethyl]…
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CAS Number: 1154904-56-9
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) | 3.13 | 5.89 | -37.85 | 2 | 2 | 1 | 26 | 246.783 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 4.71 | -3.38 | 1 | 2 | 0 | 21 | 245.775 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |