Chelist Moleculee
cas:108-88-3
einecs:203-625-9
smiles:Cc1ccccc1
name:Toluene
MW:92.1384
formula:C7H8
InChi:
InChiKey:
SMARTS:
Other names
Benzene, methyl-
Toluene (8CI)
1-Methylbenzene
Antisal 1a
CP 25
CP 25 (solvent)
Methacide
Methylbenzene
Methylbenzol
NSC 406333
Phenylmethane
Toluol

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

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)
REACH REG (14803): Reach Registrations (Regulatory)