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Chelist Moleculee
cas:143-07-7
einecs:205-582-1
smiles:CCCCCCCCCCCC(=O)O
name:Dodecanoic acid
MW:200.3178
formula:C12H24O2
InChi:
InChiKey:
SMARTS:
Other names
Lauric acid
lauric acid
Lauric Acid

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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

NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
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)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH REG (15811): Reach Registrations (Regulatory)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)