Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 25C7XX75WS
EPA CompTox DTXSID90218697

Structure

InChI Key DVSJBCFGNHBBKG-UHFFFAOYSA-N
Smiles CCN(CC)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C6H10Cl3N/c1-3-10(4-2)6(9)5(7)8/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl3N1
Molecular Weight 200.99
AlogP 3.17
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 686-10-2
NORMAN SUSDAT
FDA SRS 25C7XX75WS
PubChem 69638
ChemSpider 62839.0