In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2004 | 19 | Yes |
Popular Name: 4-Methyl-3-(piperidine-1-sulfonyl)benzoic acid 4-Methyl-3-(piperidine-1-sulfony…
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CAS Number: 300383-07-7
4-Methyl-3-(piperidin-1-ylsulfonyl)benzoic acid
4-Methyl-3-(piperidine-1-sulfonyl)-benzoic acid
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) | 2.45 | 5.36 | -55.45 | 0 | 5 | -1 | 78 | 282.341 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 179 - 181 | Enamine Building Blocks |
MP | 179-181° | Oakwood Chemical |
MP | 179...181 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |