Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20937001

Structure

InChI Key XENNXUCIWBEUFL-AATRIKPKSA-N
Smiles O=P(OCC)(OCC)CC=CCl
InChI
InChI=1/C7H14ClO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h5-6H,3-4,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14ClO3P
Molecular Weight 212.04
AlogP 3.01
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 16485-99-7
NORMAN SUSDAT
PubChem 6537956