
 CHEMBL2392162

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.4318   -0.5197   -1.0704 C   0  0  0  0  0
    3.7627   -0.1040   -0.7875 O   0  0  0  0  0
    3.9837    1.2426   -0.6995 C   0  0  0  0  0
    3.0292    2.2435   -0.8758 C   0  0  0  0  0
    3.3957    3.5891   -0.7638 C   0  0  0  0  0
    4.7208    3.9481   -0.4830 C   0  0  0  0  0
    5.6739    2.9432   -0.2837 C   0  0  0  0  0
    5.3017    1.5997   -0.3993 C   0  0  0  0  0
    5.0503    5.4023   -0.3915 C   0  0  0  0  0
    4.1644    6.1787   -0.0542 O   0  0  0  0  0
    6.3422    5.7442   -0.7437 N   0  0  0  0  0
    6.9112    7.0399   -0.7801 C   0  0  0  0  0
    8.2503    7.1474   -1.1989 C   0  0  0  0  0
    8.8713    8.3954   -1.2736 C   0  0  0  0  0
    8.1758    9.5544   -0.9354 C   0  0  0  0  0
    6.8582    9.4425   -0.5151 C   0  0  0  0  0
    6.2227    8.2037   -0.4314 C   0  0  0  0  0
    6.1824   10.5501   -0.1832 F   0  0  0  0  0
   10.2729    8.4668   -1.7098 C   0  0  0  0  0
   10.8672    9.5297   -1.8210 O   0  0  0  0  0
   10.9405    7.1917   -2.0040 C   0  0  0  0  0
   10.2402    6.0554   -1.8949 C   0  0  0  0  0
    8.9092    5.9822   -1.5220 O   0  0  0  0  0
   10.9478    4.7900   -2.2016 C   0  0  0  0  0
   12.1230    4.6635   -2.4930 O   0  0  0  0  0
   10.1254    3.7269   -2.1282 O   0  0  0  0  0
    2.4246   -1.6130   -1.1112 H   0  0  0  0  0
    2.1005   -0.1484   -2.0459 H   0  0  0  0  0
    1.7453   -0.2109   -0.2752 H   0  0  0  0  0
    1.9922    2.0162   -1.0991 H   0  0  0  0  0
    2.6400    4.3611   -0.9015 H   0  0  0  0  0
    6.6995    3.1738   -0.0130 H   0  0  0  0  0
    6.0441    0.8194   -0.2444 H   0  0  0  0  0
    6.9529    5.0073   -1.0791 H   0  0  0  0  0
    8.6446   10.5325   -0.9910 H   0  0  0  0  0
    5.1917    8.1926   -0.0950 H   0  0  0  0  0
   11.9817    7.2351   -2.3014 H   0  0  0  0  0
   10.7020    2.9681   -2.3614 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 34  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 35  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 36  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 37  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 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392162

>  <PubChem CID>
71733651

>  <Formula>
C18H12FNO6

>  <Molecular Weight>
357.293000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H12FNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)

>  <InChI Key>
AUJZEJXAHZISEO-UHFFFAOYSA-N

