| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 3-(2-Methyl-1H-indol-3-yl)-3-oxopropanenitrile 3-(2-Methyl-1H-indol-3-yl)-3-oxo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 76397-72-3 , [76397-72-3]
| 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) | 1.29 | 6.11 | -14.24 | 1 | 3 | 0 | 57 | 198.225 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
