Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L76NRN6FL5
EPA CompTox DTXSID50874112

Structure

InChI Key IOLQWLOHKZENDW-UHFFFAOYSA-N
Smiles CCC(CC1=CC=CC=C1)N
InChI
InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 1.97
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 30543-88-5
NORMAN SUSDAT
FDA SRS L76NRN6FL5
PubChem 103771
ChemSpider 93687.0