| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 15 | No |
Popular Name: 3-[(pyridin-3-ylmethyl)carbamoyl]prop-2-enoic acid 3-[(pyridin-3-ylmethyl)carbamoyl…
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CAS Number: 307526-41-6
| 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) | -0.65 | 2.07 | -48.39 | 1 | 5 | -1 | 82 | 205.193 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.65 | 2.35 | -70.04 | 2 | 5 | 0 | 83 | 206.201 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 92 - 94 | Enamine Building Blocks |
| MP | 92...94 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
