Chelist Moleculee
JRC CODE:JRC-000178
cas:80-05-7
einecs:201-245-8
smiles:C(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
name:Bisphenol A
MW:228.2863
formula:C15H16O2
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)
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)
DGENV EAS (585): DG ENV EDS Database (EU Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
EPA VLIVER (29): The Virtual Liver Project: Modeling Tissue Response To Chemicals Through Multiscale Simul (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)
REACH REG (14803): Reach Registrations (Regulatory)