Structure

InChI Key YZZCJYJBCUJISI-UHFFFAOYSA-N
Smile CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChI
InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N3O9
Molecular Weight 269.17
AlogP 0.01
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 157.11
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 2921-92-8
ChEBI 135104
ChEMBL CHEMBL488280
DrugBank DB13255
DrugCentral 2295
EPA CompTox DTXSID40183467
FDA SRS AJT2YN495R
PubChem 66261
SureChEMBL SCHEMBL214199
ZINC ZINC000008214664