Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4UCL445ULN
EPA CompTox DTXSID2075429

Structure

InChI Key URPVDDXMEZAEJY-UHFFFAOYSA-N
Smiles COc1c(OC)c(OC)c2c(=O)c3c(cccc3)n(C)c2c1OC
InChI
InChI=1S/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19N1O5
Molecular Weight 329.13
AlogP 2.73
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 58.92
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 517-73-7
NORMAN SUSDAT
FDA SRS 4UCL445ULN
PubChem 101253
ChemSpider 91488.0