3-(2-hydroxyethyl)-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Chemical Structure Depiction of
3-(2-hydroxyethyl)-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
3-(2-hydroxyethyl)-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Compound characteristics
| Compound ID: | 8017-9790 |
| Compound Name: | 3-(2-hydroxyethyl)-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one |
| Molecular Weight: | 321.29 |
| Molecular Formula: | C14 H15 N3 O6 |
| Smiles: | C1C2(CN(CCO)CC1(c1ccccc1C2=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.259 |
| logD: | 1.2583 |
| logSw: | -2.3432 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.55 |
| InChI Key: | MCDCJCYYRVTPND-UHFFFAOYSA-N |