Chelist Moleculee
JRC CODE:JRC-000047
cas:56-55-3
einecs:200-280-6
smiles:c1ccc2cc3c(ccc4ccccc34)cc2c1
name:Benz(a)anthracene
MW:228.2879
formula:C18H12
InChi:
InChiKey:
SMARTS:
Other names
Benz[a]anthracene
1,2-Benz[a]anthracene
1,2-Benzanthracene
1,2-Benzanthrene
Benzanthrene
1,2-Benzoanthracene
2,3-Benzophenanthrene
Benzanthracene
Benzo[a]anthracene
Benzo[b]phenanthrene
Benzoanthracene
NSC 30970
Tetraphene

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

REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU 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)