| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2010 | 19 | Yes |
Popular Name: ethyl 1-[3-(aminomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxylate ethyl 1-[3-(aminomethyl)phenyl]-…
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CAS Number: 1210913-01-1
| 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) | 1.39 | 5.7 | -51.3 | 3 | 5 | 1 | 72 | 260.317 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 5.3 | -8.71 | 2 | 5 | 0 | 70 | 259.309 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
