Chelist Moleculee
JRC CODE:JRC-000111
cas:106-51-4
einecs:203-405-2
smiles:O=C1C=CC(=O)C=C1
name:p-benzoquinone
MW:108.0948
formula:C6H4O2
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

NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
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)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
ECVAM 3T3NRU CITOTOXICITY (56): Reference chemicals used in the ECVAM validation study of the 3T3 NRU basal cytotoxicity assay to identify non-classified chemicals on the basis of the 2000 mg/kg b.w. threshold. (Method Validation)
REACH REG (14803): Reach Registrations (Regulatory)