Structure

InChI Key XIWMTQIUUWJNRP-UHFFFAOYSA-N
Smiles Nc1ccc(O)c(N)c1
InChI
InChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O1
Molecular Weight 124.06
AlogP 0.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 0.0
Polar Surface Area 72.27
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 95-86-3
NORMAN SUSDAT
FDA SRS H691WBT7OS
PubChem 7266
ChemSpider 6996.0