Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2208Y59985

Structure

InChI Key ZSZKJARKHWCBJK-UHFFFAOYSA-N
Smiles C[S](=O)(=O)OCCN[P]1(=O)OCCCN1CCCl
InChI
InChI=1S/C8H18ClN2O5PS/c1-18(13,14)16-8-4-10-17(12)11(6-3-9)5-2-7-15-17/h2-8H2,1H3,(H,10,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18Cl1N2O5P1S1
Molecular Weight 320.04
AlogP 0.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 84.94
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 37753-10-9
NORMAN SUSDAT
FDA SRS 2208Y59985