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9ME

Summary
Name:(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
Formula:C16 H10 F N O2
Formal charge:0
Formula weight:267.255 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H10FNO2/c17-12-7-5-11(9-15(12)19)16(20)14-8-6-10-3-1-2-4-13(10)18-14/h1-9,19H
InChIKeyInChI1.03JNWWABLECBACFV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2
SMILESCACTVS3.385Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F

225158

PDB entries from 2024-09-18

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