11-oxo-7,8,9,10,10a,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Chemical Structure Depiction of
11-oxo-7,8,9,10,10a,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
11-oxo-7,8,9,10,10a,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-3197 |
| Compound Name: | 11-oxo-7,8,9,10,10a,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile |
| Molecular Weight: | 263.3 |
| Molecular Formula: | C16 H13 N3 O |
| Smiles: | C1CCC2C(C1)C(n1c3ccccc3nc1C=2C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9984 |
| logD: | 2.8526 |
| logSw: | -2.881 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.274 |
| InChI Key: | CXLWXIIHLCOMLC-UHFFFAOYSA-N |