Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80420186

Structure

InChI Key PZKNKZNLQYKXFV-UHFFFAOYSA-N
Smiles NCc1cc(N)ccc1O
InChI
InChI=1S/C7H10N2O/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4,8-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O1
Molecular Weight 138.08
AlogP 0.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 72.27
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 79352-72-0
NORMAN SUSDAT
PubChem 5463813
ChemSpider 4576374.0