3-nitrodibenzo[b,f]oxepine-1-carbonitrile
Chemical Structure Depiction of
3-nitrodibenzo[b,f]oxepine-1-carbonitrile
3-nitrodibenzo[b,f]oxepine-1-carbonitrile
Compound characteristics
| Compound ID: | 3448-8558 |
| Compound Name: | 3-nitrodibenzo[b,f]oxepine-1-carbonitrile |
| Molecular Weight: | 264.24 |
| Molecular Formula: | C15 H8 N2 O3 |
| Smiles: | C1=Cc2c(C#N)cc(cc2Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.586 |
| logD: | 3.586 |
| logSw: | -3.9506 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.821 |
| InChI Key: | SXLXVBUANMHTQU-UHFFFAOYSA-N |