Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 76SOP090PG
EPA CompTox DTXSID1073945

Structure

InChI Key SDFLTYHTFPTIGX-UHFFFAOYSA-N
Smiles Cn1c2c(cccc2)c2c1cccc2
InChI
InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11N1
Molecular Weight 181.09
AlogP 3.33
Hydrogen Bond Acceptor 1.0
Polar Surface Area 4.93
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1484-12-4
NORMAN SUSDAT
FDA SRS 76SOP090PG
PubChem 15142
ChemSpider 11897.0