Chelist HOME
Search all list by Chemical ID
Search all list by Chemical Structure
Find the overlap between selected chemical list
Combine chemical list into a custom list
Chelist Moleculee
cas:109333-33-7
einecs:
smiles:Clc1cc2Oc3cc(Cl)c(Br)cc3Oc2cc1Cl
name:2-Bromo-3,7,8-trichlorodibenzodioxin
MW:366.422
formula:C12H4BrCl3O2
InChi:
InChiKey:
SMARTS:

Search by similarity
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

DGENV EAS (490): DG ENV EDS Database (EU Research Projects)