Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9J19F5321S

Structure

InChI Key UDRNNGBAXFCBLJ-UHFFFAOYSA-N
Smiles CC(C)N(C(=O)CCl)c1cccc(C)c1C
InChI
InChI=1S/C13H18ClNO/c1-9(2)15(13(16)8-14)12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18Cl1N1O1
Molecular Weight 239.11
AlogP 3.28
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 63114-77-2
NORMAN SUSDAT
FDA SRS 9J19F5321S