Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L9T6H77RXC
EPA CompTox DTXSID30220032

Structure

InChI Key UHDOWIRKQWDHEC-UHFFFAOYSA-N
Smiles CC(C)CCc1ncccc1
InChI
InChI=1S/C10H15N/c1-9(2)6-7-10-5-3-4-8-11-10/h3-5,8-9H,6-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.67
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 6973-66-6
NORMAN SUSDAT
FDA SRS L9T6H77RXC
PubChem 81454
ChemSpider 73497.0