Structure

InChI Key JVMSQRAXNZPDHF-UHFFFAOYSA-N
Smiles Nc1ccc(c(N)c1)S(O)(=O)=O
InChI
InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O3S1
Molecular Weight 188.03
AlogP 0.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 106.41
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 88-63-1
NORMAN SUSDAT
FDA SRS 863X637R5Q
PubChem 66623
ChemSpider 59990.0