Chelist Moleculee

JRC CODE:	JRC-000241
cas:	76-87-9
einecs:	200-990-6
smiles:	O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3
name:	Fentin
MW:	367.03
formula:	C18H16OSn
InChi:
InChiKey:
SMARTS:

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

NICEATM ECVAM 3T3NRU CITOTOXICITY (72): Reference chemicals used in the NICEATM/ECVAM validation study of the Neutral Red Uptake (NRU) basal cytotoxicity assay (Method Validation)
TOXCAST PHASE I (320): US EPA ToxCast list - phase I (International Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)