Structure
|
|
|
| InChI Key |
BHPZBCWRQHQTKJ-UHFFFAOYSA-N |
| Smiles |
O=[N+]([O-])OCN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])CO[N+](=O)[O-]
|
| InChI |
InChI=1/C4H8N8O12/c13-8(14)5(1-6(9(15)16)3-23-11(19)20)2-7(10(17)18)4-24-12(21)22/h1-4H2
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C4H13N8O12 |
| Molecular Weight |
360.03 |
| AlogP |
-2.29 |
| Hydrogen Bond Acceptor |
12.0 |
| Number of Rotational Bond |
13.0 |
| Polar Surface Area |
243.88 |
| Heavy Atoms |
24.0 |
Cross References
| Resources |
Reference |
|
|
CAS NUMBER
|
14173-61-6
|
| NORMAN SUSDAT |
|
| PubChem |
84236
|
