Structure

InChI Key JODKFOVZURLVTG-UHFFFAOYSA-N
Smiles O=C(CBr)N1CC([N+](=O)[O-])([N+](=O)[O-])C1
InChI
InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6BrN3O5
Molecular Weight 268.02
AlogP -0.53
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 106.59
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 925206-65-1
ChEMBL CHEMBL3526802
DrugBank DB12060
FDA SRS 7RPW6SU9SC
PubChem 15950826
SureChEMBL SCHEMBL2249018
ZINC ZINC000034805177