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Chelist Moleculee
cas:71-55-6
einecs:200-756-3
smiles:CC(Cl)(Cl)Cl
name:1,1,1-Trichloroethane
MW:133.404
formula:C2H3Cl3
InChi:
InChiKey:
SMARTS:
Other names
1,1,1-Trichloroethane
1,1,1-trichloroethane

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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

TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
NICEATM ECVAM 3T3NRU CITOTOXICITY (72): Reference chemicals used in the NICEATM/ECVAM validation study of the Neutral Red Uptake (NRU) basal cytotoxicity assay (Method Validation)
ECVAM VAL STUDY ON SKIN IRRITATION (SIVS) (78): Prospective validation study on RhE test methods (EpiSkinTM, EpiDermTM SIT and SkinEthicTM RHE) for skin irritation (Method Validation)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH REG (15811): Reach Registrations (Regulatory)
JRC Acute Systemic Toxicity (180): The use of computational and in vitro methods for acute systemic toxicity prediction (JRC Projects)