
 SCHEMBL3315622

 46 48  0  0  0  0  0  0  0  0999 V2000
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    3.3577   -1.0913   -0.2450 C   0  0  0  0  0
    3.9063   -0.5703    0.8616 C   0  0  0  0  0
    5.1728    0.1778    0.8570 C   0  0  0  0  0
    5.2818    1.5270    0.4436 C   0  0  0  0  0
    6.5368    2.1651    0.5029 C   0  0  0  0  0
    7.6675    1.4964    0.9619 C   0  0  0  0  0
    7.5689    0.1664    1.3499 C   0  0  0  0  0
    6.3381   -0.5078    1.2937 C   0  0  0  0  0
    6.3032   -1.9607    1.7005 C   0  0  0  0  0
    4.1763    2.3851   -0.0963 C   0  0  0  0  0
    4.4512    3.3125   -0.8528 O   0  0  0  0  0
    2.8920    2.1473    0.3267 N   0  0  0  0  0
    1.7302    3.0011   -0.0047 C   0  0  0  0  0
    1.8520    4.4160    0.6180 C   0  0  0  0  0
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    1.0227    7.1592    0.6507 H   0  0  0  0  0
   -1.3083    2.0712    0.7100 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3315622

>  <PubChem CID>
25160800

>  <Formula>
C21H20FNO3

>  <Molecular Weight>
353.393000

>  <IUPAC Name>
5-fluoro-2-[[3-methyl-2-[(E)-prop-1-enyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC=CC1=C(C=CC=C1C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <Isomeric SMILES>
C/C=C/C1=C(C=CC=C1C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H20FNO3/c1-3-5-17-13(2)6-4-7-18(17)19(24)23-21(20(25)26)11-14-8-9-16(22)10-15(14)12-21/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,26)/b5-3+

>  <InChI Key>
RCKNFKFXUYXQGD-HWKANZROSA-N

