
 CHEMBL2392165

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.1458    1.9528   -1.4269 C   0  0  0  0  0
    5.2381    0.7585   -1.4468 C   0  0  0  0  0
    3.8508    0.9036   -1.3476 C   0  0  0  0  0
    3.0157   -0.2142   -1.4110 C   0  0  0  0  0
    3.5571   -1.4918   -1.5765 C   0  0  0  0  0
    4.9443   -1.6533   -1.6722 C   0  0  0  0  0
    5.7754   -0.5236   -1.6206 C   0  0  0  0  0
    5.5921   -2.9838   -1.8694 C   0  0  0  0  0
    6.6680   -3.0195   -2.4559 O   0  0  0  0  0
    4.9241   -4.0707   -1.3342 N   0  0  0  0  0
    5.3346   -5.4277   -1.3600 C   0  0  0  0  0
    4.5041   -6.3740   -0.7331 C   0  0  0  0  0
    4.8634   -7.7229   -0.7119 C   0  0  0  0  0
    6.0457   -8.1565   -1.3114 C   0  0  0  0  0
    6.8630   -7.2238   -1.9394 C   0  0  0  0  0
    6.5145   -5.8700   -1.9684 C   0  0  0  0  0
    8.3221   -7.7453   -2.6894 Cl  0  0  0  0  0
    3.9715   -8.6872   -0.0519 C   0  0  0  0  0
    4.2389   -9.8781    0.0208 O   0  0  0  0  0
    2.7266   -8.1554    0.5161 C   0  0  0  0  0
    2.4865   -6.8408    0.4298 C   0  0  0  0  0
    3.3383   -5.9197   -0.1575 O   0  0  0  0  0
    1.2126   -6.3494    1.0066 C   0  0  0  0  0
    0.3508   -7.0170    1.5478 O   0  0  0  0  0
    1.0812   -5.0171    0.8672 O   0  0  0  0  0
    5.6341    2.8363   -1.0316 H   0  0  0  0  0
    6.4915    2.1771   -2.4409 H   0  0  0  0  0
    7.0139    1.7628   -0.7868 H   0  0  0  0  0
    3.4096    1.8917   -1.2314 H   0  0  0  0  0
    1.9378   -0.0841   -1.3471 H   0  0  0  0  0
    2.8784   -2.3347   -1.6637 H   0  0  0  0  0
    6.8537   -0.6459   -1.7206 H   0  0  0  0  0
    4.0746   -3.8947   -0.8093 H   0  0  0  0  0
    6.3213   -9.2086   -1.2913 H   0  0  0  0  0
    7.1875   -5.1823   -2.4709 H   0  0  0  0  0
    2.0526   -8.8654    0.9811 H   0  0  0  0  0
    0.2151   -4.8239    1.2846 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 22  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 35  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392165

>  <PubChem CID>
71733653

>  <Formula>
C18H12ClNO5

>  <Molecular Weight>
357.746000

>  <IUPAC Name>
6-chloro-8-[(3-methylbenzoyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H12ClNO5/c1-9-3-2-4-10(5-9)17(22)20-13-7-11(19)6-12-14(21)8-15(18(23)24)25-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)

>  <InChI Key>
MHFUMXCPFDMBDB-UHFFFAOYSA-N

