Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F0PVL84ZWR

Structure

InChI Key PRFPQYGTPKDLHJ-UHFFFAOYSA-N
Smiles O=C1CCCCC1CN2CCCCC2;[Cl].O=C1CCCCC1CN2CCCCC2
InChI
InChI=1S/C12H21NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N1O1
Molecular Weight 195.16
AlogP 2.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 534-84-9
NORMAN SUSDAT
FDA SRS F0PVL84ZWR