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Chelist Moleculee
cas:50-32-8
einecs:200-028-5
smiles:c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
name:Benzo(a)pyrene
MW:252.3093
formula:C20H12
InChi:
InChiKey:
SMARTS:
Other names
Benzo[def]chrysene (Benzo[a]pyrene), Benzo[def]chrysene(Benzo[a]pyrene)
Benzo[Def]Chrysene
Benzo[a]pyrene
Benzo(a)pyrene
benzo[def]chrysene

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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

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
DGENV EAS (490): DG ENV EDS Database (EU Research Projects)
CarcinoGENOMICS (34): Test chemicals used for the development of in vitro carcinogenicity tests during the FP6 project carcinoGENOMICS. (EU Research Projects)
CTA Carcinogenicity (8): ECVAM prevalidation study on cell transformation assays for carcinogenicity (Method Validation)
In vitro genotoxicity (72): Updated recommended lists of genotoxic and non-genotoxic chemicals for assessment of the performance of new or improved genotoxicity tests (Method Validation)
REACH SVHC (195): Candidate List of Substances of Very High Concern (Regulatory)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
Skin Sensitisation (269): Skin Sensitisation Dataset (JRC Projects)