
 CHEMBL2392161

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.2824   -3.7913    1.9854 C   0  0  0  0  0
    1.2088   -2.7741    2.2266 C   0  0  0  0  0
    1.1190   -1.5687    1.5286 C   0  0  0  0  0
    0.1004   -1.3885    0.5839 C   0  0  0  0  0
   -0.8302   -2.4089    0.3409 C   0  0  0  0  0
   -0.7484   -3.6132    1.0499 C   0  0  0  0  0
   -1.6828   -4.7546    0.8196 C   0  0  0  0  0
   -1.2667   -5.8828    1.0569 O   0  0  0  0  0
   -2.9546   -4.4333    0.3797 N   0  0  0  0  0
   -4.0059   -5.3384    0.0789 C   0  0  0  0  0
   -5.2368   -4.8026   -0.3446 C   0  0  0  0  0
   -6.3057   -5.6465   -0.6570 C   0  0  0  0  0
   -6.1755   -7.0299   -0.5531 C   0  0  0  0  0
   -4.9616   -7.5540   -0.1375 C   0  0  0  0  0
   -3.8819   -6.7278    0.1741 C   0  0  0  0  0
   -4.8221   -8.8820   -0.0371 F   0  0  0  0  0
   -7.5723   -5.0547   -1.1057 C   0  0  0  0  0
   -8.5484   -5.7372   -1.3846 O   0  0  0  0  0
   -7.6178   -3.5912   -1.2134 C   0  0  0  0  0
   -6.5297   -2.8791   -0.8883 C   0  0  0  0  0
   -5.3377   -3.4340   -0.4413 O   0  0  0  0  0
   -6.5459   -1.3993   -0.9912 C   0  0  0  0  0
   -5.6240   -0.6723   -0.6616 O   0  0  0  0  0
   -7.6808   -0.8946   -1.5043 O   0  0  0  0  0
   -0.0584    0.0702   -0.3303 Cl  0  0  0  0  0
    2.2971   -0.3530    1.8696 Cl  0  0  0  0  0
    0.3715   -4.7318    2.5293 H   0  0  0  0  0
    2.0007   -2.9342    2.9553 H   0  0  0  0  0
   -1.5855   -2.2578   -0.4251 H   0  0  0  0  0
   -3.2068   -3.4544    0.3007 H   0  0  0  0  0
   -6.9988   -7.6967   -0.7931 H   0  0  0  0  0
   -2.9650   -7.2138    0.4890 H   0  0  0  0  0
   -8.5498   -3.1604   -1.5587 H   0  0  0  0  0
   -7.5330    0.0751   -1.5210 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  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>
CHEMBL2392161

>  <PubChem CID>
71733650

>  <Formula>
C17H8Cl2FNO5

>  <Molecular Weight>
396.151000

>  <IUPAC Name>
8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)O)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)O)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C17H8Cl2FNO5/c18-10-2-1-7(3-11(10)19)16(23)21-12-5-8(20)4-9-13(22)6-14(17(24)25)26-15(9)12/h1-6H,(H,21,23)(H,24,25)

>  <InChI Key>
FKKZFNANBDRYQO-UHFFFAOYSA-N

