Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UTK86UR5V6
EPA CompTox DTXSID7066221

Structure

InChI Key QZADYGNSQCABPT-UHFFFAOYSA-N
Smiles CC(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChI
InChI=1S/C17H24O/c1-11-9-14-15(10-13(11)12(2)18)17(5,6)8-7-16(14,3)4/h9-10H,7-8H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24O1
Molecular Weight 244.18
AlogP 4.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 17610-24-1
NORMAN SUSDAT
FDA SRS UTK86UR5V6
PubChem 87186
ChemSpider 78649.0