Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50937791

Structure

InChI Key BOCHZOAPGOOZEX-UHFFFAOYSA-N
Smiles O=C(C=1C=CC=CC1)C(=CN(C)C)C=2C=CC=CC2
InChI
InChI=1/C17H17NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17NO
Molecular Weight 251.13
AlogP 3.47
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 20.31
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 17059-74-4
NORMAN SUSDAT
PubChem 86503