Chelist Moleculee
JRC CODE:JRC-000046
cas:71-43-2
einecs:200-753-7
smiles:c1ccccc1
name:Benzene
MW:78.1118
formula:C6H6
InChi:
InChiKey:
SMARTS:
Other names
Benzene, 1,3,5-Cyclohexatriene
Benzol
Benzole
C6H6
Coal naphtha
Cyclohexatriene
NSC 67315
Phene
Phenyl hydride
Pyrobenzol
Pyrobenzole
[6]Annulene

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

ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
DNT list (71): A database of developmental neurotoxicants (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)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
REACH REG (14803): Reach Registrations (Regulatory)