Chelist Moleculee
JRC CODE:JRC-000213
cas:63612-50-0
einecs:
smiles:N1(c2cc(c([N+](=O)[O-])cc2)C(F)(F)F)C(C(C)(C)NC1=O)=O
name:Nilutamide
MW:317.2207
formula:C12H10F3N3O4
InChi:
InChiKey:
SMARTS:

Search by similarity
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

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)