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Chelist Moleculee
cas:53885-35-1
einecs:258-837-4
smiles:Clc1ccccc1CN2CCc3sccc3C2
name:5-(o-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridinium chloride
MW:263.786
formula:C14H14ClNS
InChi:
InChiKey:
SMARTS:
Other names
5-(O-Chlorobenzyl)-4,5,6,7-Tetrahydrothieno[3,2-C]Pyridinium Chloride

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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

Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)