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QLA

Summary
Name:2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
Formula:C16 H10 F N O3
Formal charge:0
Formula weight:283.254 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
OpenEye OEToolkits2.0.72-[(4-fluorophenyl)amino]-3-oxidanyl-naphthalene-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O
InChIInChI1.03InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H
InChIKeyInChI1.03AVGHWZUEYVXFON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC1=C(Nc2ccc(F)cc2)C(=O)c3ccccc3C1=O
SMILESCACTVS3.385OC1=C(Nc2ccc(F)cc2)C(=O)c3ccccc3C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F

221051

PDB entries from 2024-06-12

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