Chelist Moleculee

cas:	118-96-7
einecs:	204-289-6
smiles:	Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
name:	2,4,6-trinitrotoluene
MW:	227.1311
formula:	C7H5N3O6
InChi:
InChiKey:
SMARTS:

Other names
2,4,6-Trinitrotoluene
2,4,6-trinitrotoluene

Search by similarity

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) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOXCAST PHASE II (534): US EPA ToxCast list - phase II (International Research Projects)
REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
REACH REG (19180): Reach Registrations (Regulatory)