PRALLETHRIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2X67A9B2Z7
EPA CompTox DTXSID0032572

Structure

InChI Key SMKRKQBMYOFFMU-DRXWIORDSA-N
Smiles CC(C)=C[C@H]1[C@H](C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C
InChI
InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24O3
Molecular Weight 300.17
AlogP 3.45
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 43.37
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 23031-36-9
NORMAN SUSDAT
FDA SRS 2X67A9B2Z7
PubChem 31621
ChemSpider 29324.0
CONTENTS