
 MLS000419234

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    2.4616   -4.0437    0.1104 O   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000419234

>  <PubChem CID>
4137748

>  <Formula>
C20H13FN2O3

>  <Molecular Weight>
348.333000

>  <IUPAC Name>
2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=CC=C4F

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C20H13FN2O3/c1-11-10-16(23-19(24)12-6-2-4-8-14(12)21)22-18-13-7-3-5-9-15(13)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24)

>  <InChI Key>
BZXHNNQBAGEBMR-UHFFFAOYSA-N

