Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30887725

Structure

InChI Key CXSSLOLTFYXFDC-UHFFFAOYSA-N
Smiles O(P(OC)OCC1CC2CC1C3C4C=CC(C4)C23)C
InChI
InChI=1/C15H23O3P/c1-16-19(17-2)18-8-12-6-11-7-13(12)15-10-4-3-9(5-10)14(11)15/h3-4,9-15H,5-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23O3P
Molecular Weight 282.14
AlogP 3.62
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 27.69
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 70766-49-3
NORMAN SUSDAT
PubChem 116688