In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 17 | Yes |
Popular Name: N-[1-(1,3-benzothiazol-2-yl)cyclohexyl]-N-methylamine N-[1-(1,3-benzothiazol-2-yl)cycl…
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CAS Number: 1000931-32-7
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) | 3.83 | 6.8 | -40.06 | 2 | 2 | 1 | 29 | 247.387 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.83 | 5.52 | -7.11 | 1 | 2 | 0 | 25 | 246.379 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |