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Chelist Moleculee
cas:118-58-1
einecs:204-262-9
smiles:Oc1ccccc1C(=O)OCc2ccccc2
name:Benzyl salicylate
MW:228.2433
formula:C14H12O3
InChi:
InChiKey:
SMARTS:
Other names
benzyl salicylate
Benzyl Salicylate
Benzyl salicylate (BS)
Benzyl salicylate

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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

DGENV EAS (490): DG ENV EDS Database (EU Research Projects)
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 PRS (143835): ECHA list of pre-registered substances (Regulatory)
Skin Sensitisation (269): Skin Sensitisation Dataset (JRC Projects)
REACH REG (15811): Reach Registrations (Regulatory)