Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QLR2KR8883

Structure

InChI Key HPLOCTDGLFAFAF-UHFFFAOYSA-N
Smiles CC1O[P](Cl)(=S)OC2CCCCC12
InChI
InChI=1S/C8H14ClO2PS/c1-6-7-4-2-3-5-8(7)11-12(9,13)10-6/h6-8H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14Cl1O2P1S1
Molecular Weight 240.01
AlogP 3.44
Hydrogen Bond Acceptor 3.0
Polar Surface Area 18.46
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2921-31-5
NORMAN SUSDAT
FDA SRS QLR2KR8883