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#53 Organophosphates not recognised

Toxtree 3.1.0
open
Nina Jeliazkova
Plugin: Kroes TTC (2)
5
2018-05-05
2011-09-23
Nina Jeliazkova
No

Problem 1: Organophosphates are not recognised. For parathion and diazinon we do not get the expected TTC value for
organophosphates but the message, that
QQ1.Is the substance a non-essential metal or metal containing compound,
or is it a polyhalogenated dibenzodioxin, -dibenzofuran, or -biphenyl? Yes
- what is not true.

parathion S=P(Oc1ccc(cc1)N+=O)(OCC)OCC

diazinon S=P(OCC)(OCC)Oc1nc(nc(c1)C)C(C)C

Discussion

  • Nina Jeliazkova

    Nina Jeliazkova - 2013-07-11
    • Group: Toxtree 2.5.0 --> Toxtree 2.6.1
     

  • Nina Jeliazkova

    Nina Jeliazkova - 2015-08-06
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -3,3 +3,7 @@
 QQ1.Is the substance a non-essential metal or metal containing compound,
 or is it a polyhalogenated dibenzodioxin, -dibenzofuran, or -biphenyl? Yes
 \- what is not true.
+
+parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC
+
+diazinon S=P(OCC)(OCC)Oc1nc(nc(c1)C)C(C)C
    • Group: Toxtree 2.6.14-SNAPSHOT --> Toxtree 3.0.0
     

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