9-nitrobenzo[b]naphtho[1,2-f]oxepine-11-carbonitrile
Chemical Structure Depiction of
9-nitrobenzo[b]naphtho[1,2-f]oxepine-11-carbonitrile
9-nitrobenzo[b]naphtho[1,2-f]oxepine-11-carbonitrile
Compound characteristics
| Compound ID: | 8011-4681 |
| Compound Name: | 9-nitrobenzo[b]naphtho[1,2-f]oxepine-11-carbonitrile |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C19 H10 N2 O3 |
| Smiles: | C1=Cc2c(ccc3ccccc23)Oc2cc(cc(C#N)c12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5698 |
| logD: | 4.5698 |
| logSw: | -4.9977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.549 |
| InChI Key: | GMESCQUYSMRXES-UHFFFAOYSA-N |