| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 16 | Yes |
Popular Name: 3-(5-Methoxy-1H-indol-3-yl)-3-oxopropanenitrile 3-(5-Methoxy-1H-indol-3-yl)-3-ox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 821009-89-6 , [821009-89-6] , [821009-91-0]
1-(1H-Indol-3-yl)-2-(methylsulfonyl)-1-ethanone
1H-indole-3-propanenitrile, 5-methoxy-beta-oxo-
| 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) | 1.10 | 4.82 | -27.53 | 1 | 4 | 0 | 66 | 214.224 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 277 - 278 | KeyOrganics |
| MP | 289 - 291 | Enamine Building Blocks |
| MP | 289...291 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
