Chelist Moleculee
cas:95144-24-4
einecs:
smiles:[Cl-].C[N+]1=CN(C=C)C=C1.C=CN1CCCC1=O
name:Luviquat HM 552
MW:255.744
formula:C12H18ClN3O
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

OECD ZFET (21): OECD validation study of the zebrafish embryo acute toxicity test (Method Validation)