
 CHEMBL2392164

 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.5829    0.4833   -1.0184 C   0  0  0  0  0
    0.0803   -0.5867   -0.4176 C   0  0  0  0  0
    1.4608   -0.5292   -0.2068 C   0  0  0  0  0
    2.1843    0.6018   -0.6100 C   0  0  0  0  0
    1.5067    1.6806   -1.1951 C   0  0  0  0  0
    0.1279    1.6190   -1.4021 C   0  0  0  0  0
    3.6620    0.7173   -0.4280 C   0  0  0  0  0
    4.1469    1.8341   -0.2872 O   0  0  0  0  0
    4.3630   -0.4728   -0.4793 N   0  0  0  0  0
    5.7640   -0.6561   -0.3864 C   0  0  0  0  0
    6.2527   -1.9688   -0.5110 C   0  0  0  0  0
    7.6238   -2.2201   -0.4588 C   0  0  0  0  0
    8.5312   -1.1775   -0.2732 C   0  0  0  0  0
    8.0482    0.1200   -0.1356 C   0  0  0  0  0
    6.6759    0.3851   -0.1894 C   0  0  0  0  0
    9.1581    1.4145    0.0999 Cl  0  0  0  0  0
    8.0981   -3.6044   -0.6021 C   0  0  0  0  0
    9.2868   -3.8902   -0.5875 O   0  0  0  0  0
    7.0716   -4.6434   -0.7589 C   0  0  0  0  0
    5.7829   -4.2803   -0.7823 C   0  0  0  0  0
    5.3296   -2.9763   -0.6807 O   0  0  0  0  0
    4.7767   -5.3593   -0.9219 C   0  0  0  0  0
    4.9962   -6.5494   -1.0509 O   0  0  0  0  0
    3.5195   -4.8794   -0.8811 O   0  0  0  0  0
   -1.6577    0.4373   -1.1783 H   0  0  0  0  0
   -0.4825   -1.4629   -0.1040 H   0  0  0  0  0
    1.9425   -1.3622    0.2965 H   0  0  0  0  0
    2.0543    2.5726   -1.4946 H   0  0  0  0  0
   -0.3896    2.4588   -1.8595 H   0  0  0  0  0
    3.8414   -1.3194   -0.6789 H   0  0  0  0  0
    9.5998   -1.3772   -0.2341 H   0  0  0  0  0
    6.3470    1.4140   -0.0796 H   0  0  0  0  0
    7.4137   -5.6683   -0.8428 H   0  0  0  0  0
    2.9616   -5.6806   -0.9766 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 21  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 32  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392164

>  <PubChem CID>
71733652

>  <Formula>
C17H10ClNO5

>  <Molecular Weight>
343.719000

>  <IUPAC Name>
8-benzamido-6-chloro-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H10ClNO5/c18-10-6-11-13(20)8-14(17(22)23)24-15(11)12(7-10)19-16(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,22,23)

>  <InChI Key>
BOMURAGUSJCHFQ-UHFFFAOYSA-N

