3-(azepan-1-yl)-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
3-(azepan-1-yl)-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one
3-(azepan-1-yl)-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 2040-0825 |
| Compound Name: | 3-(azepan-1-yl)-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 291.3 |
| Molecular Formula: | C14 H17 N3 O4 |
| Smiles: | C1CCCN(CC1)C1(C(Nc2ccc(cc12)[N+]([O-])=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.273 |
| logD: | 2.215 |
| logSw: | -3.0881 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.19 |
| InChI Key: | IJKZPJDBFDPZMA-AWEZNQCLSA-N |