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F13

Summary
Name:3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:C14 H10 F N5 O
Formal charge:0
Formula weight:283.261 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
OpenEye OEToolkits1.5.03-fluoro-N-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
SMILES_CANONICALCACTVS3.341Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILESCACTVS3.341Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3
InChIInChI1.03InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyInChI1.03GAKOBKPDJJGRIL-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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