Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 7X7BP6BH6F
EPA CompTox DTXSID4052762

Structure

InChI Key GUEPTLJJMZGRNU-UHFFFAOYSA-M
Smiles [Cl-].C=1C=CC(=CC1)C[N+]2=CC(=CC=C2C)CC
InChI
InChI=1/C15H18N.ClH/c1-3-14-10-9-13(2)16(11-14)12-15-7-5-4-6-8-15;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18N
Molecular Weight 247.11
AlogP -0.1
Number of Rotational Bond 3.0
Polar Surface Area 3.88
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 93893-74-4
NORMAN SUSDAT
FDA SRS 7X7BP6BH6F
PubChem 16205849