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Chelist Moleculee
cas:85-00-7
einecs:201-579-4
smiles:c12c3[n+](CC[n+]1cccc2)cccc3.[BrH-].[BrH-]
name:Diquat dibromide
MW:346.061
formula:C12H14Br2N2
InChi:
InChiKey:
SMARTS:
Other names
diquat dibromide
Diquat Dibromide

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Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
TOXCAST PHASE I (309): US EPA ToxCast list - phase I (International Research Projects)
TOXCAST PHASE II (534): US EPA ToxCast list - phase II (International Research Projects)
JRC Acute Systemic Toxicity (180): The use of computational and in vitro methods for acute systemic toxicity prediction (JRC Projects)