
 CHEMBL2392156

 37 39  0  0  0  0  0  0  0  0999 V2000
   -0.3739    3.4107    1.0374 C   0  0  0  0  0
    0.8763    3.0496    0.5398 C   0  0  0  0  0
    1.1694    1.7000    0.3403 C   0  0  0  0  0
    0.2224    0.7188    0.6323 C   0  0  0  0  0
   -1.0412    1.0758    1.1351 C   0  0  0  0  0
   -1.3267    2.4291    1.3357 C   0  0  0  0  0
   -1.9477    0.0280    1.4212 N   0  0  0  0  0
   -3.2391    0.1327    1.9005 C   0  0  0  0  0
   -3.8604    1.1702    2.0963 O   0  0  0  0  0
   -3.9275   -1.1666    2.1640 C   0  0  0  0  0
   -3.2312   -2.3137    2.5670 C   0  0  0  0  0
   -3.9216   -3.5076    2.8031 C   0  0  0  0  0
   -5.3156   -3.5711    2.6521 C   0  0  0  0  0
   -6.0087   -2.4121    2.2700 C   0  0  0  0  0
   -5.3207   -1.2191    2.0320 C   0  0  0  0  0
   -6.0729   -4.8539    2.9041 C   0  0  0  0  0
   -6.9820   -4.7343    3.9100 F   0  0  0  0  0
   -6.7726   -5.2665    1.8114 F   0  0  0  0  0
   -5.2695   -5.8991    3.2481 F   0  0  0  0  0
    0.4768   -0.6225    0.4512 O   0  0  0  0  0
    1.7139   -1.0014   -0.0401 C   0  0  0  0  0
    2.7017   -0.1537   -0.3549 C   0  0  0  0  0
    2.4835    1.2884   -0.1766 C   0  0  0  0  0
    3.3625    2.0946   -0.4475 O   0  0  0  0  0
    1.9733   -2.4473   -0.2344 C   0  0  0  0  0
    2.9933   -2.9550   -0.6631 O   0  0  0  0  0
    0.9170   -3.1996    0.1276 O   0  0  0  0  0
   -0.6136    4.4600    1.1979 H   0  0  0  0  0
    1.6146    3.8159    0.3121 H   0  0  0  0  0
   -2.2859    2.7578    1.7255 H   0  0  0  0  0
   -1.5992   -0.8969    1.1948 H   0  0  0  0  0
   -2.1571   -2.2947    2.7319 H   0  0  0  0  0
   -3.3643   -4.3900    3.1171 H   0  0  0  0  0
   -7.0926   -2.4332    2.1593 H   0  0  0  0  0
   -5.8758   -0.3277    1.7423 H   0  0  0  0  0
    3.6667   -0.4640   -0.7380 H   0  0  0  0  0
    1.2126   -4.1169   -0.0552 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 23  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 23 24  2  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392156

>  <PubChem CID>
71735035

>  <Formula>
C18H10F3NO5

>  <Molecular Weight>
377.275000

>  <IUPAC Name>
4-oxo-8-[[4-(trifluoromethyl)benzoyl]amino]chromene-2-carboxylic acid

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)C(F)(F)F)OC(=CC2=O)C(=O)O

>  <Isomeric SMILES>
C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)C(F)(F)F)OC(=CC2=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H10F3NO5/c19-18(20,21)10-6-4-9(5-7-10)16(24)22-12-3-1-2-11-13(23)8-14(17(25)26)27-15(11)12/h1-8H,(H,22,24)(H,25,26)

>  <InChI Key>
KWQQLPCMVMIVLX-UHFFFAOYSA-N

