Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8Q2BG27JBU
EPA CompTox DTXSID1030319

Structure

InChI Key OXEUETBFKVCRNP-UHFFFAOYSA-N
Smiles CCn1c2c(cccc2)c2c1ccc(N)c2
InChI
InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14N2
Molecular Weight 210.12
AlogP 3.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 30.95
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 132-32-1
NORMAN SUSDAT
FDA SRS 8Q2BG27JBU
PubChem 8588
ChemSpider 8269.0