Chelist Moleculee

JRC CODE:	JRC-000355
cas:	330-54-1
einecs:	206-354-4
smiles:	CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
name:	Diuron
MW:	233.095
formula:	C9H10Cl2N2O
InChi:
InChiKey:
SMARTS:

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 I (320): US EPA ToxCast list - phase I (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)
DGENV EAS (585): DG ENV EDS Database (EU Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)
REACH REG (14803): Reach Registrations (Regulatory)