Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YRZ30ATK2G
EPA CompTox DTXSID6052615

Structure

InChI Key DBDNQNARCHWMSP-UHFFFAOYSA-N
Smiles CCN(CCCl)c1ccccc1
InChI
InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14Cl1N1
Molecular Weight 183.08
AlogP 2.75
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 92-49-9
NORMAN SUSDAT
FDA SRS YRZ30ATK2G
PubChem 7093
ChemSpider 6826.0