H4T

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Summary

Name:6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
Formula:C14 H15 Cl2 N O2
Formal charge:0
Molecular weight:300.18 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
InChIKeyInChI1.03DGXBFJCZWBOKKO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2
SMILESCACTVS3.385Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl
SMILESOpenEye OEToolkits2.0.6c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl