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Chelist Moleculee
cas:15646-46-5
einecs:239-713-9
smiles:CCOC=C1N=C(OC1=O)c2ccccc2
name:4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one (oxazolone)
MW:217.2206
formula:C12H11NO3
InChi:
InChiKey:
SMARTS:
Other names
4-ethoxymethylene-2-phenyl-2-oxazoline-5-one
Oxazolone

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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 (143825): ECHA list of pre-registered substances (Regulatory)
TOX21 LIST1 (8198): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
ECVAM COSEU SKIN SENSITIZATION (16): Chemicals for the Development and Evaluation of In Vitro Methods for Skin Sensitisation Testing (Method Validation)
Skin Sensitisation (269): Skin Sensitisation Dataset (JRC Projects)