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Chelist Moleculee
cas:107534-96-3
einecs:600-834-0
smiles:CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
name:1H-1,2,4-Triazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-
MW:307.818
formula:C16H22ClN3O
InChi:
InChiKey:
SMARTS:
Other names
1h-1,2,4-Triazole-1-Ethanol, -[2-(4-Chlorophenyl)Ethyl]--(1,1-Dimethylethyl)-
Tebuconazole
1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

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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 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)
DGENV EAS (490): DG ENV EDS Database (EU Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH REG (15811): Reach Registrations (Regulatory)