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Chelist Moleculee
cas:129630-19-9
einecs:603-347-1
smiles:CCOC(=O)COc1cc(c(F)cc1Cl)c2nn(C)c(OC(F)F)c2Cl
name:Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester
MW:413.176
formula:C15H13Cl2F3N2O4
InChi:
InChiKey:
SMARTS:
Other names
Acetic Acid, 2-[2-Chloro-5-[4-Chloro-5-(Difluoromethoxy)-1-Methyl-1h-Pyrazol-3-Yl]-4-Fluorophenoxy]-, Ethyl Ester
Pyraflufen-ethyl

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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 (143835): ECHA list of pre-registered substances (Regulatory)
TOXCAST PHASE I (320): US EPA ToxCast list - phase I (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)