3-nitrodibenzo[b,f]oxepine-1-carboxylic acid
Chemical Structure Depiction of
3-nitrodibenzo[b,f]oxepine-1-carboxylic acid
3-nitrodibenzo[b,f]oxepine-1-carboxylic acid
Compound characteristics
| Compound ID: | 8016-2062 |
| Compound Name: | 3-nitrodibenzo[b,f]oxepine-1-carboxylic acid |
| Molecular Weight: | 283.24 |
| Molecular Formula: | C15 H9 N O5 |
| Smiles: | C1=Cc2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6247 |
| logD: | -0.8621 |
| logSw: | -3.9199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.173 |
| InChI Key: | SPYMAOCSDJMUJW-UHFFFAOYSA-N |