| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2010 | 15 | Yes |
Popular Name: [5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanamine hydrochloride [5-(4-methoxyphenyl)-1H-1,2,4-tr…
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CAS Numbers: 1258650-54-2 , 944906-01-8
| 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) | 0.85 | 1.75 | -43.92 | 4 | 5 | 1 | 78 | 205.241 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 1.39 | -8.15 | 3 | 5 | 0 | 77 | 204.233 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 1.65 | -41.91 | 3 | 5 | 0 | 77 | 204.233 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 274 - 276 | Enamine Building Blocks |
| MP | 274...276 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
