
 CHEMBL2392160

 34 36  0  0  0  0  0  0  0  0999 V2000
   -3.2821    5.0774    1.9920 C   0  0  0  0  0
   -2.3413    5.8609    1.3196 C   0  0  0  0  0
   -1.2871    5.2684    0.5969 C   0  0  0  0  0
   -1.2083    3.8683    0.5478 C   0  0  0  0  0
   -2.1522    3.0847    1.2268 C   0  0  0  0  0
   -3.1804    3.6918    1.9442 C   0  0  0  0  0
   -4.3378    2.7220    2.7673 Cl  0  0  0  0  0
   -0.0124    3.0109   -0.3603 Cl  0  0  0  0  0
   -0.3508    6.2134   -0.0856 C   0  0  0  0  0
   -0.8024    7.2909   -0.4566 O   0  0  0  0  0
    0.9670    5.8162   -0.1896 N   0  0  0  0  0
    2.0455    6.5329   -0.7618 C   0  0  0  0  0
    3.3137    5.9225   -0.7522 C   0  0  0  0  0
    4.4198    6.5819   -1.2909 C   0  0  0  0  0
    4.2874    7.8502   -1.8519 C   0  0  0  0  0
    3.0347    8.4451   -1.8650 C   0  0  0  0  0
    1.9189    7.8039   -1.3279 C   0  0  0  0  0
    2.8951    9.6631   -2.4039 F   0  0  0  0  0
    5.7294    5.9183   -1.2542 C   0  0  0  0  0
    6.7400    6.4458   -1.6969 O   0  0  0  0  0
    5.7769    4.5787   -0.6539 C   0  0  0  0  0
    4.6490    4.0398   -0.1709 C   0  0  0  0  0
    3.4129    4.6681   -0.1944 O   0  0  0  0  0
    4.6675    2.6893    0.4427 C   0  0  0  0  0
    3.6897    2.1154    0.8911 O   0  0  0  0  0
    5.8825    2.1162    0.4799 O   0  0  0  0  0
   -4.0883    5.5565    2.5427 H   0  0  0  0  0
   -2.4342    6.9463    1.3598 H   0  0  0  0  0
   -2.0922    1.9994    1.1872 H   0  0  0  0  0
    1.2081    4.8923    0.1627 H   0  0  0  0  0
    5.1397    8.3745   -2.2747 H   0  0  0  0  0
    0.9720    8.3309   -1.3739 H   0  0  0  0  0
    6.7435    4.0909   -0.6349 H   0  0  0  0  0
    5.7254    1.2480    0.9086 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  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 23  1  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 32  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 33  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392160

>  <PubChem CID>
71733649

>  <Formula>
C17H8Cl2FNO5

>  <Molecular Weight>
396.151000

>  <IUPAC Name>
8-[(2,4-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=C1Cl)Cl)C(=O)NC2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)O

>  <Isomeric SMILES>
C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)O

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

>  <InChI Key>
KBMRILYJLACQHU-UHFFFAOYSA-N

