Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VY3E772E6A
EPA CompTox DTXSID9067192

Structure

InChI Key IVXCVROGNYFLEO-UHFFFAOYSA-N
Smiles CC(C)NCl
InChI
InChI=1S/C3H8ClN/c1-3(2)5-4/h3,5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8Cl1N1
Molecular Weight 93.03
AlogP 1.14
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 26245-56-7
NORMAN SUSDAT
FDA SRS VY3E772E6A
PubChem 33436
ChemSpider 30876.0