Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4069131

Structure

InChI Key OZMLRWPLFYWTPG-UHFFFAOYSA-N
Smiles CN(C)c1c2C(=O)c3ccccc3C(=O)c2c(cc1)N(C)C
InChI
InChI=1S/C18H18N2O2/c1-19(2)13-9-10-14(20(3)4)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N2O2
Molecular Weight 294.14
AlogP 2.59
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 40.62
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 56799-32-7
NORMAN SUSDAT
PubChem 92538
ChemSpider 83544.0