| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 15 | Yes |
Popular Name: 3-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)propanenitrile 3-(2,3-dioxo-2,3-dihydro-1H-indo…
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CAS Numbers: , 253786-56-0 , [253786-56-0]
3-(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)-propanenitrile
3-(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)propane nitrile
| 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) | 0.36 | 5.42 | -14 | 0 | 4 | 0 | 63 | 200.197 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| 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) | 1.53 | 6.92 | -14.05 | 0 | 4 | 0 | 52 | 252.273 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 7.28 | -44.92 | 1 | 4 | 1 | 53 | 253.281 | 3 | ↓ |
