9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
Chemical Structure Depiction of
9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
Compound characteristics
Compound ID: | 8020-1517 |
Compound Name: | 9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione |
Molecular Weight: | 296.24 |
Molecular Formula: | C15 H8 N2 O5 |
Smiles: | c1ccc2c(c1)C(=O)OC1c3ccc(cc3C(N12)=O)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2787 |
logD: | 2.2787 |
logSw: | -3.0536 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 70.069 |
InChI Key: | JTHXAQJJWNFDLL-CQSZACIVSA-N |