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8P1

Summary
Name:6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula:C10 H11 N O
Formal charge:0
Formula weight:161.2 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
InChIKeyInChI1.03BEVVUJBVEXJGKM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc2C(=O)CCCc2c1
SMILESCACTVS3.385Nc1ccc2C(=O)CCCc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc1N)CCCC2=O
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1N)CCCC2=O

223166

数据于2024-07-31公开中

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