2,6-dinitro-N-oxido-3'-oxo-3',4'-dihydro-1'H-spiro[cyclohexa-2,5-diene-1,2'-quinoxalin]-4-imine N-oxide
Chemical Structure Depiction of
2,6-dinitro-N-oxido-3'-oxo-3',4'-dihydro-1'H-spiro[cyclohexa-2,5-diene-1,2'-quinoxalin]-4-imine N-oxide
2,6-dinitro-N-oxido-3'-oxo-3',4'-dihydro-1'H-spiro[cyclohexa-2,5-diene-1,2'-quinoxalin]-4-imine N-oxide
Compound characteristics
| Compound ID: | 8010-7269 |
| Compound Name: | 2,6-dinitro-N-oxido-3'-oxo-3',4'-dihydro-1'H-spiro[cyclohexa-2,5-diene-1,2'-quinoxalin]-4-imine N-oxide |
| Molecular Weight: | 346.23 |
| Molecular Formula: | C13 H8 N5 O7 |
| Smiles: | C1=C(C2(C(=CC1=[N+]([O-])[O-])[N+]([O-])=O)C(Nc1ccccc1N2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.986 |
| logD: | 0.9859 |
| logSw: | -2.0633 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 141.095 |
| InChI Key: | XIBVNYGNKYJJSH-UHFFFAOYSA-N |