Structure

InChI Key VYZAHLCBVHPDDF-UHFFFAOYSA-N
Smiles O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
InChI
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3ClN2O4
Molecular Weight 202.55
AlogP 2.16
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 86.28
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 97-00-7
ChEBI 34718
ChEMBL CHEMBL292687
DrugBank DB11831
FDA SRS GE3IBT7BMN
KEGG C14397
PubChem 6
SureChEMBL SCHEMBL39251
ZINC ZINC000001540301