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Chelist Moleculee
cas:627-72-5
einecs:
smiles:C(S\C(=C\Cl)Cl)[C@@H](C(O)=O)N
name:S-(1,2-dichlorovinyl)-L-cysteine
MW:216.086
formula:C5H7Cl2NO2S
InChi:
InChiKey:
SMARTS:

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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

CarcinoGENOMICS (34): Test chemicals used for the development of in vitro carcinogenicity tests during the FP6 project carcinoGENOMICS. (EU Research Projects)