This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc
Chemical compound data from PubChem database. IUPAC Name: chloromethyl 8-chlorononanoate. Molecular Formula: C10H18Cl2O2. Molecular Weight: 241.15. This dataset...
2 JSON dicts that list the connectivity features (key) ECFP4 (including the ECFP2) as detected by the GetMorganFingerprint function of the RDkit program. One files encompass all the 556,187 ECFP4 of t
