In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 13 | Yes |
Popular Name: {4H,5H,6H-cyclopenta[b]thiophen-2-ylmethyl}(propan-2-yl)amine hydrochloride {4H,5H,6H-cyclopenta[b]thiophen-…
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CAS Numbers: 1152851-11-0 , 1211698-86-0
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) | 2.73 | 6.93 | -35.14 | 2 | 1 | 1 | 17 | 196.339 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 5.73 | -2.53 | 1 | 1 | 0 | 12 | 195.331 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |