Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SVJ3HUM6V7
EPA CompTox DTXSID6059075

Structure

InChI Key JGRWYZQONRFIFH-UHFFFAOYSA-N
Smiles CN(C)c1cc2ccc(C)nc2cc1
InChI
InChI=1S/C12H14N2/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9/h4-8H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N2
Molecular Weight 186.12
AlogP 2.61
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 16.13
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 92-99-9
NORMAN SUSDAT
FDA SRS SVJ3HUM6V7
PubChem 66725
ChemSpider 60091.0