CYPERQUAT

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Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII R865A5OY8J
EPA CompTox DTXSID4058106

Structure

InChI Key FMGYKKMPNATWHP-UHFFFAOYSA-N
Smiles C[N+]1=CC=C(C=C1)C1=CC=CC=C1
InChI
InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N
Molecular Weight 170.1
AlogP 2.18
Number of Rotational Bond 1.0
Polar Surface Area 3.88
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 48134-75-4
NORMAN SUSDAT
FDA SRS R865A5OY8J
CONTENTS