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FKO

概要
表記:3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole
組成式:C19 H12 Cl F N2 O
電荷:0
化学式量:338.763 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.043-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole
OpenEye OEToolkits1.5.03-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04Fc4ccccc4Oc3ccc1c(nnc1c2ccccc2Cl)c3
SMILES_CANONICALCACTVS3.341Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl
SMILESCACTVS3.341Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl
InChIInChI1.03InChI=1S/C19H12ClFN2O/c20-15-6-2-1-5-13(15)19-14-10-9-12(11-17(14)22-23-19)24-18-8-4-3-7-16(18)21/h1-11H,(H,22,23)
InChIKeyInChI1.03QDPZIIDGFJHLRY-UHFFFAOYSA-N

218853

件を2024-04-24に公開中

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