Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII EMD5UGL8L6
EPA CompTox DTXSID50194903

Structure

InChI Key SYNYPRPWBDWELP-UHFFFAOYSA-N
Smiles Cl.O=C(Cl)C1CCNCC1
InChI
InChI=1/C6H10ClNO.ClH/c7-6(9)5-1-3-8-4-2-5;/h5,8H,1-4H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10ClNO
Molecular Weight 183.02
AlogP 1.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.1
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 42060-79-7
NORMAN SUSDAT
FDA SRS EMD5UGL8L6
PubChem 3016319