
 Oprea1_767840

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    6.4136    2.9465   -0.1062 C   0  0  0  0  0
    6.7759    2.1394   -1.1949 C   0  0  0  0  0
    6.9805    0.7662   -1.0255 C   0  0  0  0  0
    6.2736    4.4338   -0.2353 C   0  0  0  0  0
    5.6573    5.0478    0.6363 O   0  0  0  0  0
    6.9613    5.0918   -1.3284 C   0  0  0  0  0
    6.6322    6.1429   -2.1744 C   0  0  0  0  0
    7.8159    6.4516   -2.9165 C   0  0  0  0  0
    8.1741    7.3826   -3.9115 C   0  0  0  0  0
    9.4698    7.3358   -4.4481 C   0  0  0  0  0
   10.3964    6.3861   -4.0111 C   0  0  0  0  0
   10.0621    5.4547   -3.0247 C   0  0  0  0  0
    8.7690    5.5282   -2.5142 C   0  0  0  0  0
    8.2612    4.7129   -1.5590 O   0  0  0  0  0
    5.4243    6.8141   -2.3262 N   0  0  0  0  0
    4.1866    6.2623   -2.0530 C   0  0  0  0  0
    3.9827    5.0807   -1.7925 O   0  0  0  0  0
    3.0206    7.1822   -2.2340 C   0  0  0  0  0
    3.1482    8.5792   -2.1639 C   0  0  0  0  0
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M  END

>  <Chemical Name>
Oprea1_767840

>  <PubChem CID>
1192919

>  <Formula>
C23H16FNO4

>  <Molecular Weight>
389.382000

>  <IUPAC Name>
4-fluoro-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)21(26)22-20(18-4-2-3-5-19(18)29-22)25-23(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27)

>  <InChI Key>
ACTJLBIOEPLTIY-UHFFFAOYSA-N

