| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2008 | 14 | Yes |
Popular Name: 1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-amine 1-phenyl-2-(1H-1,2,4-triazol-1-y…
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CAS Number: 953906-04-2
| 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) | -1.43 | 6.09 | -42.3 | 3 | 4 | 1 | 58 | 189.242 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.43 | 5.76 | -6.95 | 2 | 4 | 0 | 57 | 188.234 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 87 - 89 | Enamine Building Blocks |
| MP | 87...89 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
