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DIENOCHLOR ID: ALA1355965
Max Phase: Preclinical
Molecular Formula: C10Cl10
Molecular Weight: 474.64
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl
Standard InChI: InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18
Standard InChI Key: LWLJUMBEZJHXHV-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Properties Molecular Weight: 474.64Molecular Weight (Monoisotopic): 469.6885AlogP: 7.73#Rotatable Bonds: 1Polar Surface Area: 0.00Molecular Species: HBA: 0HBD: 0#RO5 Violations: 1HBA (Lipinski): 0HBD (Lipinski): 0#RO5 Violations (Lipinski): 1CX Acidic pKa: CX Basic pKa: CX LogP: 5.13CX LogD: 5.13Aromatic Rings: 0Heavy Atoms: 20QED Weighted: 0.34Np Likeness Score: 0.01
References 1. PubChem BioAssay data set, 2. Besard L, Mommaerts V, Vandeven J, Cuvelier X, Sterk G, Smagghe G.. (2010) Compatibility of traditional and novel acaricides with bumblebees (Bombus terrestris): a first laboratory assessment of toxicity and sublethal effects., 66 (7): [PMID:20309850 ] [10.1002/ps.1943 ]
