6-(1H-pyrrol-1-yl)-2H-1,3-benzodioxole-5-carbonitrile
Chemical Structure Depiction of
6-(1H-pyrrol-1-yl)-2H-1,3-benzodioxole-5-carbonitrile
6-(1H-pyrrol-1-yl)-2H-1,3-benzodioxole-5-carbonitrile
Compound characteristics
| Compound ID: | 8014-2304 |
| Compound Name: | 6-(1H-pyrrol-1-yl)-2H-1,3-benzodioxole-5-carbonitrile |
| Molecular Weight: | 212.2 |
| Molecular Formula: | C12 H8 N2 O2 |
| Smiles: | C1Oc2cc(C#N)c(cc2O1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7822 |
| logD: | 2.7822 |
| logSw: | -3.3051 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 38.095 |
| InChI Key: | GIOCCYRXWLFQCT-UHFFFAOYSA-N |