Chelist Moleculee

cas:	103-41-3
einecs:	203-109-3
smiles:	O=C(OCc1ccccc1)\C=C\c2ccccc2
name:	Benzyl cinnamate
MW:	238.2812
formula:	C16H14O2
InChi:
InChiKey:
SMARTS:

Other names
Benzyl cinnamate
benzyl cinnamate

Search by similarity

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) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOX21 LIST1 (8198): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
Skin Sensitisation (269): Skin Sensitisation Dataset (JRC Projects)
REACH REG (19180): Reach Registrations (Regulatory)