PIRIMIPHOS-ETHYL OXYGEN ANALOG

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q7EI95045G

Structure

InChI Key WSPIMFPJZBRGMD-UHFFFAOYSA-N
Smiles CCO[P](=O)(OCC)Oc1cc(C)nc(n1)N(CC)CC
InChI
InChI=1S/C13H24N3O4P/c1-6-16(7-2)13-14-11(5)10-12(15-13)20-21(17,18-8-3)19-9-4/h10H,6-9H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24N3O4P1
Molecular Weight 317.15
AlogP 3.19
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 9.0
Polar Surface Area 73.78
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 36378-61-7
NORMAN SUSDAT
FDA SRS Q7EI95045G
CONTENTS