Structure
|
|
|
| InChI Key |
PSDIVOYKWCKHLG-UHFFFAOYSA-N |
| Smiles |
[O-][N+](=O)c1cc(c(N=Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]
|
| InChI |
InChI=1S/C12H4N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4H/b14-13+
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C12H4N8O12 |
| Molecular Weight |
451.99 |
| AlogP |
3.55 |
| Hydrogen Bond Acceptor |
14.0 |
| Number of Rotational Bond |
8.0 |
| Polar Surface Area |
283.56 |
| Heavy Atoms |
32.0 |
Cross References