Chelist Moleculee
JRC CODE:JRC-000313
cas:2425-06-1
einecs:219-363-3
smiles:ClC(Cl)C(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
name:Captafol
MW:349.061
formula:C10H9Cl4NO2S
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

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)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)